2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide

C21H25ClN2O3S — CID 1002059

IUPAC2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O3S/c1-16-7-5-6-10-20(16)23-21(25)15-24(18-8-3-2-4-9-18)28(26,27)19-13-11-17(22)12-14-19/h5-7,10-14,18H,2-4,8-9,15H2,1H3,(H,23,25)
InChIKeyBFEVCCARUNEUSU-UHFFFAOYSA-N
MW420.96 g/mol
LogP4.61
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide

2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide (PubChem CID 1002059) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide
PubChem CID1002059
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC Name2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O3S/c1-16-7-5-6-10-20(16)23-21(25)15-24(18-8-3-2-4-9-18)28(26,27)19-13-11-17(22)12-14-19/h5-7,10-14,18H,2-4,8-9,15H2,1H3,(H,23,25)
InChIKeyBFEVCCARUNEUSU-UHFFFAOYSA-N
XLogP4.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methylphenyl)acetamide
CID 113153099
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-phenylsulfanylphenyl)acetamide
CID 21380434
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2,4-difluorophenyl)acetamide
CID 1330856
N-(5-chloro-2-phenoxyphenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide
CID 21380435
2-[benzenesulfonyl(cyclohexyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 1331504
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
methyl 4-[[2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetyl]amino]benzoate
CID 2909473
N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]acetamide
CID 1002076
N-(3-chlorophenyl)-2-[cyclohexyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1325797
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-(2-chlorophenyl)acetamide
CID 2241044
2-[benzenesulfonyl(cyclohexyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 28543278
2-[benzenesulfonyl(cyclohexyl)amino]-N-phenylacetamide
CID 45374457

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide (CID 1002059) is 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is BFEVCCARUNEUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-16-7-5-6-10-20(16)23-21(25)15-24(18-8-3-2-4-9-18)28(26,27)19-13-11-17(22)12-14-19/h5-7,10-14,18H,2-4,8-9,15H2,1H3,(H,23,25).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 420.96 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 1002059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).