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

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

CAS: 590350-61-1

Formula: C15H14Cl2N2OS

SMILES: NC1=C(C(=O)NC2=C(Cl)C=C(Cl)C=C2)C2=C(CCCC2)S1

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

InChI: InChI=1S/C15H14Cl2N2OS/c16-8-5-6-11(10(17)7-8)19-15(20)13-9-3-1-2-4-12(9)21-14(13)18/h5-7H,1-4,18H2,(H,19,20)

Composition: C (52.80%), H (4.14%), Cl (20.78%), N (8.21%), O (4.69%), S (9.39%)

Molar Mass: 341.25

Atom Count: 35

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	340.0203897
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	MQBHUVBNOLCBIT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	89.59
Topological Polar Surface Area	55.12
Polarizability	33.03
Ring Count	3
Rotatable Bond Count	2

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