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

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

CAS: 667412-93-3

Formula: C20H32N2OS

SMILES: CCC(C)(C)C1CCC2=C(C1)SC(N)=C2C(=O)NC1CCCCC1

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

InChI: InChI=1/C20H32N2OS/c1-4-20(2,3)13-10-11-15-16(12-13)24-18(21)17(15)19(23)22-14-8-6-5-7-9-14/h13-14H,4-12,21H2,1-3H3,(H,22,23)

Composition: C (68.92%), H (9.25%), N (8.04%), O (4.59%), S (9.20%)

Molar Mass: 348.55

Atom Count: 56

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 348.223534832
Formal Charge 0
FSP3 0.75
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey CIICASJFVKLQIU-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 102.21
Topological Polar Surface Area 55.12
Polarizability 38.96
Ring Count 3
Rotatable Bond Count 4

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