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

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

CAS: 440088-43-7

Formula: C17H20N2O3S

SMILES: COC1=CC(NC(=O)C2=C(N)SC3=C2CCCC3)=C(OC)C=C1

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

InChI: InChI=1S/C17H20N2O3S/c1-21-10-7-8-13(22-2)12(9-10)19-17(20)15-11-5-3-4-6-14(11)23-16(15)18/h7-9H,3-6,18H2,1-2H3,(H,19,20)

Composition: C (61.42%), H (6.06%), N (8.43%), O (14.44%), S (9.64%)

Molar Mass: 332.42

Atom Count: 43

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	332.119463686
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	DPKARWWYQYRSHA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.9
Topological Polar Surface Area	73.58
Polarizability	34.27
Ring Count	3
Rotatable Bond Count	4

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