2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide

C17H25ClN2O3S — CID 113154945

IUPAC2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide
SMILESCc1ccc(N(CC(=O)NC2CCCCCC2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C17H25ClN2O3S/c1-13-9-10-15(11-16(13)18)20(24(2,22)23)12-17(21)19-14-7-5-3-4-6-8-14/h9-11,14H,3-8,12H2,1-2H3,(H,19,21)
InChIKeyYJJDWSNABKOOGV-UHFFFAOYSA-N
MW372.92 g/mol
LogP3.25
Rot. Bonds5

About 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide (PubChem CID 113154945) has the molecular formula C17H25ClN2O3S and a molecular weight of 372.92 g/mol. Its IUPAC name is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide
PubChem CID113154945
Molecular FormulaC17H25ClN2O3S
Molecular Weight372.92 g/mol
Exact Mass372.13
IUPAC Name2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide
SMILESCc1ccc(N(CC(=O)NC2CCCCCC2)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C17H25ClN2O3S/c1-13-9-10-15(11-16(13)18)20(24(2,22)23)12-17(21)19-14-7-5-3-4-6-8-14/h9-11,14H,3-8,12H2,1-2H3,(H,19,21)
InChIKeyYJJDWSNABKOOGV-UHFFFAOYSA-N
XLogP3.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide 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

3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylpropanamide
CID 113144205
2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 1322673
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-cyclopentylacetamide
CID 30172800
2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide
CID 113172228
N-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
CID 113156955
2-(3-bromo-N-methylsulfonylanilino)-N-cyclohexylacetamide
CID 1000068
N-cycloheptyl-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 1249582
(2R)-2-[benzyl-[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbutanamide
CID 100524796
2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132636116
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 50946845
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cyclooctylbutanamide
CID 132664767
(2S)-2-[[2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100578440

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide?
The IUPAC name of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide (CID 113154945) is 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide?
The canonical SMILES for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide is Cc1ccc(N(CC(=O)NC2CCCCCC2)S(C)(=O)=O)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide?
The InChIKey is YJJDWSNABKOOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3S/c1-13-9-10-15(11-16(13)18)20(24(2,22)23)12-17(21)19-14-7-5-3-4-6-8-14/h9-11,14H,3-8,12H2,1-2H3,(H,19,21).
What are the key properties of 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide?
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide has a molecular weight of 372.92 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide is sourced from PubChem (CID 113154945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).