N-{3-[(2-ethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide

N-{3-[(2-ethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide

Formula: C22H22N2O4S

SMILES: CCOC1=CC=CC=C1NC(=O)C1=C(NC(=O)C2=CC=CO2)SC2=C1CCCC2

IUPAC: N-{3-[(2-ethoxyphenyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide

InChI: InChI=1S/C22H22N2O4S/c1-2-27-16-10-5-4-9-15(16)23-21(26)19-14-8-3-6-12-18(14)29-22(19)24-20(25)17-11-7-13-28-17/h4-5,7,9-11,13H,2-3,6,8,12H2,1H3,(H,23,26)(H,24,25)

Composition: C (64.37%), H (5.40%), N (6.82%), O (15.59%), S (7.81%)

Molar Mass: 410.49

Atom Count: 51

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	410.13002837
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PDSFNSBIMMYJPS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.41
Topological Polar Surface Area	80.57
Polarizability	41.96
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H22N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00