2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclohexylacetamide

C22H27ClN2O3S — CID 2192147

IUPAC2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclohexylacetamide
SMILESCc1ccccc1CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O3S/c1-17-7-5-6-8-18(17)15-25(16-22(26)24-20-9-3-2-4-10-20)29(27,28)21-13-11-19(23)12-14-21/h5-8,11-14,20H,2-4,9-10,15-16H2,1H3,(H,24,26)
InChIKeyBLJGOIHRQGOGBI-UHFFFAOYSA-N
MW434.99 g/mol
LogP4.29
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclohexylacetamide

2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclohexylacetamide (PubChem CID 2192147) has the molecular formula C22H27ClN2O3S and a molecular weight of 434.99 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclohexylacetamide
PubChem CID2192147
Molecular FormulaC22H27ClN2O3S
Molecular Weight434.99 g/mol
Exact Mass434.14
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclohexylacetamide
SMILESCc1ccccc1CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H27ClN2O3S/c1-17-7-5-6-8-18(17)15-25(16-22(26)24-20-9-3-2-4-10-20)29(27,28)21-13-11-19(23)12-14-21/h5-8,11-14,20H,2-4,9-10,15-16H2,1H3,(H,24,26)
InChIKeyBLJGOIHRQGOGBI-UHFFFAOYSA-N
XLogP4.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.99
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclopentylacetamide
CID 126069306
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopentylacetamide
CID 1315881
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide
CID 1072746
4-chloro-N-(2-hydrazinyl-2-oxoethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 126069709
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-cycloheptylacetamide
CID 1281165
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dichlorophenyl)acetamide
CID 126070281
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-cycloheptylacetamide
CID 26516511
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetamide
CID 2193098
N-cyclohexyl-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126009784
N-cyclopropyl-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1331653
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 2191998
(2R)-2-[[2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 125061819

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclohexylacetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclohexylacetamide (CID 2192147) is 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclohexylacetamide is Cc1ccccc1CN(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclohexylacetamide?
The InChIKey is BLJGOIHRQGOGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3S/c1-17-7-5-6-8-18(17)15-25(16-22(26)24-20-9-3-2-4-10-20)29(27,28)21-13-11-19(23)12-14-21/h5-8,11-14,20H,2-4,9-10,15-16H2,1H3,(H,24,26).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclohexylacetamide?
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclohexylacetamide has a molecular weight of 434.99 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-cyclohexylacetamide is sourced from PubChem (CID 2192147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).