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

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

CAS: 590353-68-7

Formula: C17H20N2OS

SMILES: CCC1CCC2=C(C1)SC(N)=C2C(=O)NC1=CC=CC=C1

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

InChI: InChI=1/C17H20N2OS/c1-2-11-8-9-13-14(10-11)21-16(18)15(13)17(20)19-12-6-4-3-5-7-12/h3-7,11H,2,8-10,18H2,1H3,(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	AYTKNGUGMPXJMR-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	89.13
Topological Polar Surface Area	55.12
Polarizability	32.89
Ring Count	3
Rotatable Bond Count	3

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