2-(4-chlorophenyl)sulfonyl-N-[(S)-cyclohexyl(phenyl)methyl]acetamide

C21H24ClNO3S — CID 39594752

IUPAC2-(4-chlorophenyl)sulfonyl-N-[(S)-cyclohexyl(phenyl)methyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)N[C@H](c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H24ClNO3S/c22-18-11-13-19(14-12-18)27(25,26)15-20(24)23-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,21H,2,5-6,9-10,15H2,(H,23,24)/t21-/m1/s1
InChIKeyDYXRRJFVRDNOCL-OAQYLSRUSA-N
MW405.95 g/mol
LogP4.55
Rot. Bonds6

About 2-(4-chlorophenyl)sulfonyl-N-[(S)-cyclohexyl(phenyl)methyl]acetamide

2-(4-chlorophenyl)sulfonyl-N-[(S)-cyclohexyl(phenyl)methyl]acetamide (PubChem CID 39594752) has the molecular formula C21H24ClNO3S and a molecular weight of 405.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-[(S)-cyclohexyl(phenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-[(S)-cyclohexyl(phenyl)methyl]acetamide
PubChem CID39594752
Molecular FormulaC21H24ClNO3S
Molecular Weight405.95 g/mol
Exact Mass405.12
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-[(S)-cyclohexyl(phenyl)methyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)N[C@H](c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H24ClNO3S/c22-18-11-13-19(14-12-18)27(25,26)15-20(24)23-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,21H,2,5-6,9-10,15H2,(H,23,24)/t21-/m1/s1
InChIKeyDYXRRJFVRDNOCL-OAQYLSRUSA-N
XLogP4.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
CID 94493852
3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
CID 14208386
N-[(R)-cyclopropyl(phenyl)methyl]-2-(2-fluorophenyl)sulfonylacetamide
CID 99842975
N-[(4-chlorophenyl)-cyclopentylmethyl]-3-methylsulfonylpropanamide
CID 56827234
2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide
CID 51091250
3-acetamido-3-(4-chlorophenyl)-N-[cyclopropyl(phenyl)methyl]propanamide
CID 46691683
2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride
CID 119318615
3-amino-N-[cyclopentyl(phenyl)methyl]butanamide
CID 119737377
(2R)-2-[[2-(4-chlorophenyl)sulfonylacetyl]amino]-3-methylbutanoic acid
CID 119369259
N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533
2-(4-chlorophenyl)sulfonyl-1-cyclohexylethanol
CID 106584920
3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide
CID 119951252

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[(S)-cyclohexyl(phenyl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[(S)-cyclohexyl(phenyl)methyl]acetamide (CID 39594752) is 2-(4-chlorophenyl)sulfonyl-N-[(S)-cyclohexyl(phenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-[(S)-cyclohexyl(phenyl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-[(S)-cyclohexyl(phenyl)methyl]acetamide is O=C(CS(=O)(=O)c1ccc(Cl)cc1)N[C@H](c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-[(S)-cyclohexyl(phenyl)methyl]acetamide?
The InChIKey is DYXRRJFVRDNOCL-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H24ClNO3S/c22-18-11-13-19(14-12-18)27(25,26)15-20(24)23-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1,3-4,7-8,11-14,17,21H,2,5-6,9-10,15H2,(H,23,24)/t21-/m1/s1.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-[(S)-cyclohexyl(phenyl)methyl]acetamide?
2-(4-chlorophenyl)sulfonyl-N-[(S)-cyclohexyl(phenyl)methyl]acetamide has a molecular weight of 405.95 g/mol, XLogP of 4.55, 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-N-[(S)-cyclohexyl(phenyl)methyl]acetamide is sourced from PubChem (CID 39594752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).