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

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

CAS: 489434-80-2

Formula: C17H20N2OS

SMILES: CC1=CC=CC(NC(=O)C2=C(N)SC3=C2CCCCC3)=C1

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

InChI: InChI=1S/C17H20N2OS/c1-11-6-5-7-12(10-11)19-17(20)15-13-8-3-2-4-9-14(13)21-16(15)18/h5-7,10H,2-4,8-9,18H2,1H3,(H,19,20)

Composition: C (67.97%), H (6.71%), N (9.32%), O (5.33%), S (10.67%)

Molar Mass: 300.42

Atom Count: 41

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	300.129634446
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	ASHWMIIMDDBZNH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	89.62
Topological Polar Surface Area	55.12
Polarizability	32.81
Ring Count	3
Rotatable Bond Count	2

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