N-(naphthalen-1-yl)-2-(2-phenylacetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

N-(naphthalen-1-yl)-2-(2-phenylacetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

Formula: C28H26N2O2S

SMILES: O=C(CC1=CC=CC=C1)NC1=C(C(=O)NC2=CC=CC3=CC=CC=C23)C2=C(CCCCC2)S1

IUPAC: N-(naphthalen-1-yl)-2-(2-phenylacetamido)-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide

InChI: InChI=1S/C28H26N2O2S/c31-25(18-19-10-3-1-4-11-19)30-28-26(22-15-5-2-6-17-24(22)33-28)27(32)29-23-16-9-13-20-12-7-8-14-21(20)23/h1,3-4,7-14,16H,2,5-6,15,17-18H2,(H,29,32)(H,30,31)

Composition: C (73.98%), H (5.77%), N (6.16%), O (7.04%), S (7.05%)

Molar Mass: 454.59

Atom Count: 59

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	454.171499259
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	UGCMSVIGXQUFFH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	135.91
Topological Polar Surface Area	58.2
Polarizability	51.93
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H26N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00