2-amino-N-(2-methylphenyl)-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxamide

2-amino-N-(2-methylphenyl)-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxamide

CAS: 667436-79-5

Formula: C18H22N2OS

SMILES: CC1=C(NC(=O)C2=C(N)SC3=C2CCCCCC3)C=CC=C1

IUPAC: 2-amino-N-(2-methylphenyl)-4H,5H,6H,7H,8H,9H-cycloocta[b]thiophene-3-carboxamide

InChI: InChI=1S/C18H22N2OS/c1-12-8-6-7-10-14(12)20-18(21)16-13-9-4-2-3-5-11-15(13)22-17(16)19/h6-8,10H,2-5,9,11,19H2,1H3,(H,20,21)

Composition: C (68.75%), H (7.05%), N (8.91%), O (5.09%), S (10.20%)

Molar Mass: 314.45

Atom Count: 44

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	314.14528451
Formal Charge	0
FSP3	0.39
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	UJLBSIVWJRLEIQ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	94.22
Topological Polar Surface Area	55.12
Polarizability	34.66
Ring Count	3
Rotatable Bond Count	2

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