N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzamide

C18H16ClNO3S — CID 43954658

IUPACN-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)N(c2ccc(Cl)cc2)C2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C18H16ClNO3S/c1-13-2-4-14(5-3-13)18(21)20(16-8-6-15(19)7-9-16)17-10-11-24(22,23)12-17/h2-11,17H,12H2,1H3
InChIKeyPXDJRZIVGLCXQX-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.61
Rot. Bonds3

About N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzamide

N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzamide (PubChem CID 43954658) has the molecular formula C18H16ClNO3S and a molecular weight of 361.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzamide
PubChem CID43954658
Molecular FormulaC18H16ClNO3S
Molecular Weight361.85 g/mol
Exact Mass361.05
IUPAC NameN-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)N(c2ccc(Cl)cc2)C2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C18H16ClNO3S/c1-13-2-4-14(5-3-13)18(21)20(16-8-6-15(19)7-9-16)17-10-11-24(22,23)12-17/h2-11,17H,12H2,1H3
InChIKeyPXDJRZIVGLCXQX-UHFFFAOYSA-N
XLogP3.61
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-dimethylbenzamide
CID 2981379
4-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)benzamide
CID 3588994
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methylphenyl)-4-phenylbenzamide
CID 167768997
N-(4-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide
CID 40505382
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4-fluoro-N-(4-fluorophenyl)benzamide
CID 40505743
2-(4-chlorophenoxy)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-methyl-N-(4-methylphenyl)propanamide
CID 20881929
2-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-fluoro-N-(4-methylphenyl)benzamide
CID 43954713
N-(4-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(trifluoromethyl)benzamide
CID 27545952
4-chloro-N-(1,1-dioxothiolan-3-yl)-N-(4-methylphenyl)benzamide
CID 21179672
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-methylphenyl)cyclopropanecarboxamide
CID 40505518
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2,2-dimethyl-N-(4-methylphenyl)propanamide
CID 20881932
N-(4-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide
CID 40505385

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzamide?
The IUPAC name of N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzamide (CID 43954658) is N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzamide?
The canonical SMILES for N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzamide is Cc1ccc(C(=O)N(c2ccc(Cl)cc2)C2C=CS(=O)(=O)C2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzamide?
The InChIKey is PXDJRZIVGLCXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3S/c1-13-2-4-14(5-3-13)18(21)20(16-8-6-15(19)7-9-16)17-10-11-24(22,23)12-17/h2-11,17H,12H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzamide?
N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzamide has a molecular weight of 361.85 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzamide is sourced from PubChem (CID 43954658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).