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

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

CAS: 667412-54-6

Formula: C18H22N2OS

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

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

InChI: InChI=1/C18H22N2OS/c1-3-12-6-9-14-15(10-12)22-17(19)16(14)18(21)20-13-7-4-11(2)5-8-13/h4-5,7-8,12H,3,6,9-10,19H2,1-2H3,(H,20,21)

Composition: C (68.75%), H (7.05%), N (8.91%), O (5.09%), S (10.20%)

Molar Mass: 314.45

Atom Count: 44

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	314.14528451
Formal Charge	0
FSP3	0.39
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	HLABAHFROUWLSN-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	94.17
Topological Polar Surface Area	55.12
Polarizability	34.65
Ring Count	3
Rotatable Bond Count	3

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