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

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

CAS: 565180-45-2

Formula: C18H18ClNO2S

SMILES: CC1=CC=C(C=C1)C(=O)C1=C(NC(=O)CCl)SC2=C1CCCC2

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

InChI: InChI=1S/C18H18ClNO2S/c1-11-6-8-12(9-7-11)17(22)16-13-4-2-3-5-14(13)23-18(16)20-15(21)10-19/h6-9H,2-5,10H2,1H3,(H,20,21)

Composition: C (62.15%), H (5.22%), Cl (10.19%), N (4.03%), O (9.20%), S (9.22%)

Molar Mass: 347.86

Atom Count: 41

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	347.0746777
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	UTTMGVVAOJLPQV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	94.98
Topological Polar Surface Area	46.17
Polarizability	35.61
Ring Count	3
Rotatable Bond Count	4

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