2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

C13H20N2O3S — CID 2904294

IUPAC2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCCC(C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-3-10(2)13(16)15-9-8-11-4-6-12(7-5-11)19(14,17)18/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyUDEYSTKYJGEJLU-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.04
Rot. Bonds6

About 2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (PubChem CID 2904294) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
PubChem CID2904294
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCCC(C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-3-10(2)13(16)15-9-8-11-4-6-12(7-5-11)19(14,17)18/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)(H2,14,17,18)
InChIKeyUDEYSTKYJGEJLU-UHFFFAOYSA-N
XLogP1.04
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of 2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (CID 2904294) is 2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for 2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for 2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is CCC(C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is UDEYSTKYJGEJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-10(2)13(16)15-9-8-11-4-6-12(7-5-11)19(14,17)18/h4-7,10H,3,8-9H2,1-2H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide has a molecular weight of 284.38 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 2904294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).