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

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

CAS: 725226-64-2

Formula: C18H22N2OS

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

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

InChI: InChI=1/C18H22N2OS/c1-11-3-6-13(7-4-11)10-20-18(21)16-14-8-5-12(2)9-15(14)22-17(16)19/h3-4,6-7,12H,5,8-10,19H2,1-2H3,(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	YUDADDRHNJOAIQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.62
Topological Polar Surface Area	55.12
Polarizability	34.47
Ring Count	3
Rotatable Bond Count	3

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