N-{2-[(2-oxoazepan-3-yl)carbamoyl]phenyl}-1-benzothiophene-2-carboxamide

N-{2-[(2-oxoazepan-3-yl)carbamoyl]phenyl}-1-benzothiophene-2-carboxamide

CAS: 219766-25-3

Formula: C22H21N3O3S

SMILES: O=C(NC1=CC=CC=C1C(=O)NC1CCCCNC1=O)C1=CC2=CC=CC=C2S1

IUPAC: N-{2-[(2-oxoazepan-3-yl)carbamoyl]phenyl}-1-benzothiophene-2-carboxamide

InChI: InChI=1/C22H21N3O3S/c26-20(25-17-10-5-6-12-23-21(17)27)15-8-2-3-9-16(15)24-22(28)19-13-14-7-1-4-11-18(14)29-19/h1-4,7-9,11,13,17H,5-6,10,12H2,(H,23,27)(H,24,28)(H,25,26)

Composition: C (64.85%), H (5.19%), N (10.31%), O (11.78%), S (7.87%)

Molar Mass: 407.49

Atom Count: 50

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	407.130362722
Formal Charge	0
FSP3	0.23
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	TUSCYCAIGRVBMD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.38
Topological Polar Surface Area	87.3
Polarizability	43.49
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
99.91%	<7 Days	219766-25-3		$89.76-$420.75$89.76$140.25$420.75

Selleck Chemicals

Supplier Profile

Purity	LeadTime	CAS		UnitPrice
98%	<10 Days	219766-25-3		Quote Only

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	219766-25-3		$30.26-$166.45$30.26$75.66$98.36$166.45

Molnova Chemicals

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	219766-25-3		$38.22-$419.66$38.22$55.04$93.26$153.64$288.18$419.66