[3-[3-[(3-chlorophenyl)-[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]anilino]-3-oxopropyl]carbamic acid

C24H29ClN4O6S — CID 68899008

IUPAC[3-[3-[(3-chlorophenyl)-[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]anilino]-3-oxopropyl]carbamic acid
SMILESO=C(O)NCCC(=O)Nc1cccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)c2cccc(Cl)c2)c1
InChIInChI=1S/C24H29ClN4O6S/c25-17-6-4-10-20(14-17)29(16-23(31)27-18-7-2-1-3-8-18)36(34,35)21-11-5-9-19(15-21)28-22(30)12-13-26-24(32)33/h4-6,9-11,14-15,18,26H,1-3,7-8,12-13,16H2,(H,27,31)(H,28,30)(H,32,33)
InChIKeyGOQUQZAVGLEPJW-UHFFFAOYSA-N
MW537.04 g/mol
LogP3.58
Rot. Bonds10

About [3-[3-[(3-chlorophenyl)-[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]anilino]-3-oxopropyl]carbamic acid

[3-[3-[(3-chlorophenyl)-[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]anilino]-3-oxopropyl]carbamic acid (PubChem CID 68899008) has the molecular formula C24H29ClN4O6S and a molecular weight of 537.04 g/mol. Its IUPAC name is [3-[3-[(3-chlorophenyl)-[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]anilino]-3-oxopropyl]carbamic acid.

Molecular Properties

Compound Name[3-[3-[(3-chlorophenyl)-[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]anilino]-3-oxopropyl]carbamic acid
PubChem CID68899008
Molecular FormulaC24H29ClN4O6S
Molecular Weight537.04 g/mol
Exact Mass536.15
IUPAC Name[3-[3-[(3-chlorophenyl)-[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]anilino]-3-oxopropyl]carbamic acid
SMILESO=C(O)NCCC(=O)Nc1cccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)c2cccc(Cl)c2)c1
InChIInChI=1S/C24H29ClN4O6S/c25-17-6-4-10-20(14-17)29(16-23(31)27-18-7-2-1-3-8-18)36(34,35)21-11-5-9-19(15-21)28-22(30)12-13-26-24(32)33/h4-6,9-11,14-15,18,26H,1-3,7-8,12-13,16H2,(H,27,31)(H,28,30)(H,32,33)
InChIKeyGOQUQZAVGLEPJW-UHFFFAOYSA-N
XLogP3.58
TPSA144.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.04
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [3-[3-[(3-chlorophenyl)-[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]anilino]-3-oxopropyl]carbamic acid with MolForge

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Related Compounds

2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-cyclopentylacetamide
CID 23932028
2-[N-(benzenesulfonyl)anilino]-N-cyclohexylacetamide
CID 555477
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-cycloheptylacetamide
CID 1320768
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-cyclopentylacetamide
CID 1098058
2-[N-(benzenesulfonyl)-3-nitroanilino]-N-cyclohexylacetamide
CID 1106221
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(2-cyclohexylsulfanylethyl)acetamide
CID 126029711
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(3-cyclohexylsulfanylpropyl)acetamide
CID 30200870
2-(N-(3-chlorophenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide
CID 29431173
N-cyclopentyl-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1372290
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-cyclopentylacetamide
CID 51345206
(2R)-2-[[2-[N-(benzenesulfonyl)-3-chloroanilino]acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100543219
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-3-chloroanilino]acetamide
CID 1315963

Frequently Asked Questions

What is the IUPAC name of [3-[3-[(3-chlorophenyl)-[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]anilino]-3-oxopropyl]carbamic acid?
The IUPAC name of [3-[3-[(3-chlorophenyl)-[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]anilino]-3-oxopropyl]carbamic acid (CID 68899008) is [3-[3-[(3-chlorophenyl)-[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]anilino]-3-oxopropyl]carbamic acid.
What is the SMILES notation for [3-[3-[(3-chlorophenyl)-[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]anilino]-3-oxopropyl]carbamic acid?
The canonical SMILES for [3-[3-[(3-chlorophenyl)-[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]anilino]-3-oxopropyl]carbamic acid is O=C(O)NCCC(=O)Nc1cccc(S(=O)(=O)N(CC(=O)NC2CCCCC2)c2cccc(Cl)c2)c1.
What is the InChIKey of [3-[3-[(3-chlorophenyl)-[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]anilino]-3-oxopropyl]carbamic acid?
The InChIKey is GOQUQZAVGLEPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O6S/c25-17-6-4-10-20(14-17)29(16-23(31)27-18-7-2-1-3-8-18)36(34,35)21-11-5-9-19(15-21)28-22(30)12-13-26-24(32)33/h4-6,9-11,14-15,18,26H,1-3,7-8,12-13,16H2,(H,27,31)(H,28,30)(H,32,33).
What are the key properties of [3-[3-[(3-chlorophenyl)-[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]anilino]-3-oxopropyl]carbamic acid?
[3-[3-[(3-chlorophenyl)-[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]anilino]-3-oxopropyl]carbamic acid has a molecular weight of 537.04 g/mol, XLogP of 3.58, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[(3-chlorophenyl)-[2-(cyclohexylamino)-2-oxoethyl]sulfamoyl]anilino]-3-oxopropyl]carbamic acid is sourced from PubChem (CID 68899008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).