2-amino-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-amino-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

CAS: 83822-33-7

Formula: C16H18N2O2S

SMILES: COC1=CC=C(NC(=O)C2=C(N)SC3=C2CCCC3)C=C1

IUPAC: 2-amino-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

InChI: InChI=1S/C16H18N2O2S/c1-20-11-8-6-10(7-9-11)18-16(19)14-12-4-2-3-5-13(12)21-15(14)17/h6-9H,2-5,17H2,1H3,(H,18,19)

Composition: C (63.55%), H (6.00%), N (9.26%), O (10.58%), S (10.60%)

Molar Mass: 302.39

Atom Count: 39

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	302.108899002
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ZVCHKLYMJWMDHO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.44
Topological Polar Surface Area	64.35
Polarizability	31.74
Ring Count	3
Rotatable Bond Count	3

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