2-chloro-N-[3-(4-methoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide

2-chloro-N-[3-(4-methoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide

CAS: 919023-03-3

Formula: C18H18ClNO3S

SMILES: COC1=CC=C(C=C1)C(=O)C1=C(NC(=O)CCl)SC2=C1CCCC2

IUPAC: 2-chloro-N-[3-(4-methoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide

InChI: InChI=1S/C18H18ClNO3S/c1-23-12-8-6-11(7-9-12)17(22)16-13-4-2-3-5-14(13)24-18(16)20-15(21)10-19/h6-9H,2-5,10H2,1H3,(H,20,21)

Composition: C (59.42%), H (4.99%), Cl (9.74%), N (3.85%), O (13.19%), S (8.81%)

Molar Mass: 363.86

Atom Count: 42

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	363.0695923
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WISXWTOZIXITFK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	96.4
Topological Polar Surface Area	55.4
Polarizability	36.39
Ring Count	3
Rotatable Bond Count	5

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