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

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

CAS: 588678-91-5

Formula: C17H20N2OS

SMILES: CC1CCC2=C(C1)SC(N)=C2C(=O)NCC1=CC=CC=C1

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

InChI: InChI=1/C17H20N2OS/c1-11-7-8-13-14(9-11)21-16(18)15(13)17(20)19-10-12-5-3-2-4-6-12/h2-6,11H,7-10,18H2,1H3,(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	1
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	NOEZCXXBPYBIQW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.58
Topological Polar Surface Area	55.12
Polarizability	32.7
Ring Count	3
Rotatable Bond Count	3

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