4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid

C17H24N2O5S — CID 1266303

IUPAC4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1
InChIInChI=1S/C17H24N2O5S/c1-19(14-5-3-2-4-6-14)25(23,24)15-9-7-13(8-10-15)18-16(20)11-12-17(21)22/h7-10,14H,2-6,11-12H2,1H3,(H,18,20)(H,21,22)
InChIKeyRAKNRAFXLULLDH-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.44
Rot. Bonds7

About 4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid

4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid (PubChem CID 1266303) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid
PubChem CID1266303
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1
InChIInChI=1S/C17H24N2O5S/c1-19(14-5-3-2-4-6-14)25(23,24)15-9-7-13(8-10-15)18-16(20)11-12-17(21)22/h7-10,14H,2-6,11-12H2,1H3,(H,18,20)(H,21,22)
InChIKeyRAKNRAFXLULLDH-UHFFFAOYSA-N
XLogP2.44
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide
CID 26906866
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
CID 135231517
3-(2-chlorophenyl)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide
CID 17178988
[2-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-2-oxoethyl] 4-oxopentanoate
CID 9199124
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]propanamide
CID 124808882
2-(4-bromophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
CID 2969352
2-(4-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
CID 4924171
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,2-diphenylacetamide
CID 4777920
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 55874325
N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]octanamide
CID 4958946
2-(2-chlorophenoxy)-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]acetamide
CID 4924223

Frequently Asked Questions

What is the IUPAC name of 4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid?
The IUPAC name of 4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid (CID 1266303) is 4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid is CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CCC(=O)O)cc1.
What is the InChIKey of 4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid?
The InChIKey is RAKNRAFXLULLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-19(14-5-3-2-4-6-14)25(23,24)15-9-7-13(8-10-15)18-16(20)11-12-17(21)22/h7-10,14H,2-6,11-12H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid?
4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid has a molecular weight of 368.46 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid is sourced from PubChem (CID 1266303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).