2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-cyclopentylacetamide

C23H29ClN2O3S — CID 5177354

IUPAC2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-cyclopentylacetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)NC2CCCC2)Cc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C23H29ClN2O3S/c1-16-12-17(2)23(18(3)13-16)30(28,29)26(14-19-8-10-20(24)11-9-19)15-22(27)25-21-6-4-5-7-21/h8-13,21H,4-7,14-15H2,1-3H3,(H,25,27)
InChIKeyXQXXLSRZEDJZRN-UHFFFAOYSA-N
MW449.02 g/mol
LogP4.51
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-cyclopentylacetamide

2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-cyclopentylacetamide (PubChem CID 5177354) has the molecular formula C23H29ClN2O3S and a molecular weight of 449.02 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-cyclopentylacetamide
PubChem CID5177354
Molecular FormulaC23H29ClN2O3S
Molecular Weight449.02 g/mol
Exact Mass448.16
IUPAC Name2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-cyclopentylacetamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)NC2CCCC2)Cc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C23H29ClN2O3S/c1-16-12-17(2)23(18(3)13-16)30(28,29)26(14-19-8-10-20(24)11-9-19)15-22(27)25-21-6-4-5-7-21/h8-13,21H,4-7,14-15H2,1-3H3,(H,25,27)
InChIKeyXQXXLSRZEDJZRN-UHFFFAOYSA-N
XLogP4.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.02
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-cyclopentylacetamide 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

2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide
CID 1072746
N-cyclohexyl-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126009784
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-cycloheptylacetamide
CID 1281165
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-phenylacetamide
CID 4228257
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,6-dimethylphenyl)acetamide
CID 4185982
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 4113243
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-prop-2-enylacetamide
CID 4105507
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-cyclopentylacetamide
CID 988036
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 28546581
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylacetamide
CID 126069306
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2-fluorophenyl)acetamide
CID 5044769
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 28546584

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-cyclopentylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-cyclopentylacetamide (CID 5177354) is 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-cyclopentylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-cyclopentylacetamide is Cc1cc(C)c(S(=O)(=O)N(CC(=O)NC2CCCC2)Cc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-cyclopentylacetamide?
The InChIKey is XQXXLSRZEDJZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O3S/c1-16-12-17(2)23(18(3)13-16)30(28,29)26(14-19-8-10-20(24)11-9-19)15-22(27)25-21-6-4-5-7-21/h8-13,21H,4-7,14-15H2,1-3H3,(H,25,27).
What are the key properties of 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-cyclopentylacetamide?
2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-cyclopentylacetamide has a molecular weight of 449.02 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-cyclopentylacetamide is sourced from PubChem (CID 5177354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).