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

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

CAS: 725705-59-9

Formula: C21H28N2O2S

SMILES: CCC(C)(C)C1CCC2=C(C1)SC(N)=C2C(=O)NC1=C(OC)C=CC=C1

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

InChI: InChI=1/C21H28N2O2S/c1-5-21(2,3)13-10-11-14-17(12-13)26-19(22)18(14)20(24)23-15-8-6-7-9-16(15)25-4/h6-9,13H,5,10-12,22H2,1-4H3,(H,23,24)

Composition: C (67.71%), H (7.58%), N (7.52%), O (8.59%), S (8.61%)

Molar Mass: 372.53

Atom Count: 54

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	372.187149324
Formal Charge	0
FSP3	0.48
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	QDTXVFLCTZQACX-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	109.22
Topological Polar Surface Area	64.35
Polarizability	40.93
Ring Count	3
Rotatable Bond Count	5

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