4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide

C12H18N2O3S — CID 81192660

IUPAC4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide
SMILESCNC(=O)CCCS(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C12H18N2O3S/c1-9-8-10(13)5-6-11(9)18(16,17)7-3-4-12(15)14-2/h5-6,8H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeyGFEFKYBPQCONMS-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.88
Rot. Bonds5

About 4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide

4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide (PubChem CID 81192660) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide.

Molecular Properties

Compound Name4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide
PubChem CID81192660
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide
SMILESCNC(=O)CCCS(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C12H18N2O3S/c1-9-8-10(13)5-6-11(9)18(16,17)7-3-4-12(15)14-2/h5-6,8H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeyGFEFKYBPQCONMS-UHFFFAOYSA-N
XLogP0.88
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-amino-5-methylphenyl)sulfonyl-N-methylbutanamide
CID 81183828
6-(4-amino-2-methylphenyl)sulfonylhexan-1-ol
CID 107707400
4-(2-aminophenyl)sulfonyl-N-methylbutanamide
CID 63889973
3-methyl-4-(2-methylsulfonylethylsulfonyl)aniline
CID 81191903
2-[(4-amino-2-methylphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 43374780
2-(4-amino-2-methylphenyl)sulfonyl-N-(cyanomethyl)acetamide
CID 81193116
3-methyl-4-[3-(2,2,2-trifluoroethoxy)propylsulfonyl]aniline
CID 81192362
4-(2-ethoxyethylsulfonyl)-3-methylaniline
CID 81192495
4-(2-butoxyethylsulfonyl)-3-methylaniline
CID 81192649
3-(3-aminophenyl)sulfonyl-N-methylpropanamide
CID 81180826
2-fluoro-3-methyl-5-[4-(methylamino)-4-oxobutyl]sulfonylbenzoic acid
CID 81426868
2-(4-amino-2-methylphenyl)sulfonyl-N-cyclopentylacetamide
CID 81191498

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide?
The IUPAC name of 4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide (CID 81192660) is 4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide.
What is the SMILES notation for 4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide?
The canonical SMILES for 4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide is CNC(=O)CCCS(=O)(=O)c1ccc(N)cc1C.
What is the InChIKey of 4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide?
The InChIKey is GFEFKYBPQCONMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-8-10(13)5-6-11(9)18(16,17)7-3-4-12(15)14-2/h5-6,8H,3-4,7,13H2,1-2H3,(H,14,15).
What are the key properties of 4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide?
4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide has a molecular weight of 270.35 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methylphenyl)sulfonyl-N-methylbutanamide is sourced from PubChem (CID 81192660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).