2-amino-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-amino-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

CAS: 312513-45-4

Formula: C16H18N2OS

SMILES: NC1=C(C(=O)NCC2=CC=CC=C2)C2=C(CCCC2)S1

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

InChI: InChI=1S/C16H18N2OS/c17-15-14(12-8-4-5-9-13(12)20-15)16(19)18-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,17H2,(H,18,19)

Composition: C (67.10%), H (6.34%), N (9.78%), O (5.59%), S (11.19%)

Molar Mass: 286.39

Atom Count: 38

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	286.113984382
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	ZYOUJZMRHKGFLP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.03
Topological Polar Surface Area	55.12
Polarizability	30.86
Ring Count	3
Rotatable Bond Count	3

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