3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide

C12H18N2O3S — CID 4634582

IUPAC3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-12(2,3)8-11(15)14-9-4-6-10(7-5-9)18(13,16)17/h4-7H,8H2,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyCKAYCQXFILBHHL-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.71
Rot. Bonds3

About 3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide

3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide (PubChem CID 4634582) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide
PubChem CID4634582
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H18N2O3S/c1-12(2,3)8-11(15)14-9-4-6-10(7-5-9)18(13,16)17/h4-7H,8H2,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyCKAYCQXFILBHHL-UHFFFAOYSA-N
XLogP1.71
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-N-(4-sulfamoylphenyl)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 3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide (CID 4634582) is 3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide is CC(C)(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide?
The InChIKey is CKAYCQXFILBHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-12(2,3)8-11(15)14-9-4-6-10(7-5-9)18(13,16)17/h4-7H,8H2,1-3H3,(H,14,15)(H2,13,16,17).
What are the key properties of 3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide?
3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide has a molecular weight of 270.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(4-sulfamoylphenyl)butanamide is sourced from PubChem (CID 4634582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).