3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide

C23H38N2O3S — CID 3715174

IUPAC3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C23H38N2O3S/c1-3-5-18-25(19-6-4-2)29(27,28)22-15-13-21(14-16-22)24-23(26)17-12-20-10-8-7-9-11-20/h13-16,20H,3-12,17-19H2,1-2H3,(H,24,26)
InChIKeyCTRFOZPCPYFHIW-UHFFFAOYSA-N
MW422.64 g/mol
LogP5.58
Rot. Bonds12

About 3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide

3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide (PubChem CID 3715174) has the molecular formula C23H38N2O3S and a molecular weight of 422.64 g/mol. Its IUPAC name is 3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide
PubChem CID3715174
Molecular FormulaC23H38N2O3S
Molecular Weight422.64 g/mol
Exact Mass422.26
IUPAC Name3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1
InChIInChI=1S/C23H38N2O3S/c1-3-5-18-25(19-6-4-2)29(27,28)22-15-13-21(14-16-22)24-23(26)17-12-20-10-8-7-9-11-20/h13-16,20H,3-12,17-19H2,1-2H3,(H,24,26)
InChIKeyCTRFOZPCPYFHIW-UHFFFAOYSA-N
XLogP5.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.64
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[4-(dibutylsulfamoyl)phenyl]propanamide
CID 94830973
N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide
CID 17080128
N-[4-(dipropylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1213799
N-(4-butylphenyl)-3-cyclopentylpropanamide
CID 4076618
3-cyclohexyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]propanamide
CID 5031253
3-cyclohexyl-N-(4-propoxyphenyl)propanamide
CID 110493363
3-cyclohexyl-N-(4-sulfanylphenyl)propanamide
CID 27125888
N-(4-acetylphenyl)-3-cyclopentylpropanamide
CID 835633
N-[4-[butyl(ethyl)sulfamoyl]phenyl]acetamide
CID 2164655
3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546
4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid
CID 1266303
N-[4-(dibutylsulfamoyl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 3347715

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide (CID 3715174) is 3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide is CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1.
What is the InChIKey of 3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide?
The InChIKey is CTRFOZPCPYFHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O3S/c1-3-5-18-25(19-6-4-2)29(27,28)22-15-13-21(14-16-22)24-23(26)17-12-20-10-8-7-9-11-20/h13-16,20H,3-12,17-19H2,1-2H3,(H,24,26).
What are the key properties of 3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide?
3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide has a molecular weight of 422.64 g/mol, XLogP of 5.58, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[4-(dibutylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 3715174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).