4-methyl-N-[2-(methylsulfamoyl)ethyl]-4-phenylpentanamide

C15H24N2O3S — CID 110354804

IUPAC4-methyl-N-[2-(methylsulfamoyl)ethyl]-4-phenylpentanamide
SMILESCNS(=O)(=O)CCNC(=O)CCC(C)(C)c1ccccc1
InChIInChI=1S/C15H24N2O3S/c1-15(2,13-7-5-4-6-8-13)10-9-14(18)17-11-12-21(19,20)16-3/h4-8,16H,9-12H2,1-3H3,(H,17,18)
InChIKeyKXPKIYKTFNTLQK-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.41
Rot. Bonds8

About 4-methyl-N-[2-(methylsulfamoyl)ethyl]-4-phenylpentanamide

4-methyl-N-[2-(methylsulfamoyl)ethyl]-4-phenylpentanamide (PubChem CID 110354804) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-methyl-N-[2-(methylsulfamoyl)ethyl]-4-phenylpentanamide.

Molecular Properties

Compound Name4-methyl-N-[2-(methylsulfamoyl)ethyl]-4-phenylpentanamide
PubChem CID110354804
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-methyl-N-[2-(methylsulfamoyl)ethyl]-4-phenylpentanamide
SMILESCNS(=O)(=O)CCNC(=O)CCC(C)(C)c1ccccc1
InChIInChI=1S/C15H24N2O3S/c1-15(2,13-7-5-4-6-8-13)10-9-14(18)17-11-12-21(19,20)16-3/h4-8,16H,9-12H2,1-3H3,(H,17,18)
InChIKeyKXPKIYKTFNTLQK-UHFFFAOYSA-N
XLogP1.41
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxybutyl)-4-methyl-4-phenylpentanamide
CID 109379708
N-(2-anilino-2-oxoethyl)-4-methyl-4-phenylpentanamide
CID 110353745
N-[2-(methylsulfamoyl)ethyl]-2-phenoxyacetamide
CID 110292880
N-[2-(diethylamino)propyl]-4-methyl-4-phenylpentanamide
CID 110353171
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-methyl-4-phenylpentanamide
CID 110425742
1-[2-(methylsulfamoyl)ethyl]-3-phenylurea
CID 110292892
N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-4-phenylpentanamide
CID 110410733
4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341777
4-methyl-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-4-phenylpentanamide
CID 110353950
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methyl-4-phenylpentanamide
CID 109380164
3-(4-methylphenyl)-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 110310348
3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide
CID 106336943

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(methylsulfamoyl)ethyl]-4-phenylpentanamide?
The IUPAC name of 4-methyl-N-[2-(methylsulfamoyl)ethyl]-4-phenylpentanamide (CID 110354804) is 4-methyl-N-[2-(methylsulfamoyl)ethyl]-4-phenylpentanamide.
What is the SMILES notation for 4-methyl-N-[2-(methylsulfamoyl)ethyl]-4-phenylpentanamide?
The canonical SMILES for 4-methyl-N-[2-(methylsulfamoyl)ethyl]-4-phenylpentanamide is CNS(=O)(=O)CCNC(=O)CCC(C)(C)c1ccccc1.
What is the InChIKey of 4-methyl-N-[2-(methylsulfamoyl)ethyl]-4-phenylpentanamide?
The InChIKey is KXPKIYKTFNTLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-15(2,13-7-5-4-6-8-13)10-9-14(18)17-11-12-21(19,20)16-3/h4-8,16H,9-12H2,1-3H3,(H,17,18).
What are the key properties of 4-methyl-N-[2-(methylsulfamoyl)ethyl]-4-phenylpentanamide?
4-methyl-N-[2-(methylsulfamoyl)ethyl]-4-phenylpentanamide has a molecular weight of 312.44 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(methylsulfamoyl)ethyl]-4-phenylpentanamide is sourced from PubChem (CID 110354804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).