2-chloro-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide

2-chloro-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide

CAS: 917562-26-6

Formula: C16H16ClNO2S

SMILES: CC1=C(C)C(C(=O)C2=CC=C(C)C=C2)=C(NC(=O)CCl)S1

IUPAC: 2-chloro-N-[4,5-dimethyl-3-(4-methylbenzoyl)thiophen-2-yl]acetamide

InChI: InChI=1S/C16H16ClNO2S/c1-9-4-6-12(7-5-9)15(20)14-10(2)11(3)21-16(14)18-13(19)8-17/h4-7H,8H2,1-3H3,(H,18,19)

Composition: C (59.72%), H (5.01%), Cl (11.02%), N (4.35%), O (9.94%), S (9.96%)

Molar Mass: 321.82

Atom Count: 37

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	321.0590276
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	IKIHLQBYSFTKID-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	87.65
Topological Polar Surface Area	46.17
Polarizability	32.66
Ring Count	2
Rotatable Bond Count	4

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