4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide

C18H28N2O3S — CID 24819422

IUPAC4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CCCC2CCCCC2)c1
InChIInChI=1S/C18H28N2O3S/c1-20(2)24(22,23)17-12-7-11-16(14-17)19-18(21)13-6-10-15-8-4-3-5-9-15/h7,11-12,14-15H,3-6,8-10,13H2,1-2H3,(H,19,21)
InChIKeyLNDNYUXGYAKAKE-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.63
Rot. Bonds7

About 4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide

4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide (PubChem CID 24819422) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide
PubChem CID24819422
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CCCC2CCCCC2)c1
InChIInChI=1S/C18H28N2O3S/c1-20(2)24(22,23)17-12-7-11-16(14-17)19-18(21)13-6-10-15-8-4-3-5-9-15/h7,11-12,14-15H,3-6,8-10,13H2,1-2H3,(H,19,21)
InChIKeyLNDNYUXGYAKAKE-UHFFFAOYSA-N
XLogP3.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexyl-N-(3-ethylsulfonylphenyl)butanamide
CID 86971398
4-amino-N-[3-(dimethylsulfamoyl)phenyl]butanamide
CID 43707686
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide
CID 43346819
2-cyclohexylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8705717
3-cyclohexyl-N-(3-sulfamoylphenyl)propanamide
CID 4588833
N-[3-(dimethylsulfamoyl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119672919
2-cyclopentylsulfanyl-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8763703
2-(cyclopropylmethylamino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119672943
2-(azepan-1-ium-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8895996
2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 56570187
N-[3-(dimethylsulfamoyl)phenyl]-4-phenylsulfanylbutanamide
CID 4780433
3-(4-cyclohexylbutanoylamino)-5-methylsulfonylbenzoic acid
CID 119257879

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide?
The IUPAC name of 4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide (CID 24819422) is 4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CCCC2CCCCC2)c1.
What is the InChIKey of 4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide?
The InChIKey is LNDNYUXGYAKAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-20(2)24(22,23)17-12-7-11-16(14-17)19-18(21)13-6-10-15-8-4-3-5-9-15/h7,11-12,14-15H,3-6,8-10,13H2,1-2H3,(H,19,21).
What are the key properties of 4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide?
4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide has a molecular weight of 352.50 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-N-[3-(dimethylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 24819422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).