4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide

C14H23N3O3S — CID 81084175

IUPAC4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
SMILESCc1ccc(NC(=O)CC(C)CN)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H23N3O3S/c1-10(9-15)7-14(18)16-12-6-5-11(2)13(8-12)21(19,20)17(3)4/h5-6,8,10H,7,9,15H2,1-4H3,(H,16,18)
InChIKeyGGUGWCRFGBCKTJ-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.17
Rot. Bonds6

About 4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide

4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide (PubChem CID 81084175) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
PubChem CID81084175
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
SMILESCc1ccc(NC(=O)CC(C)CN)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C14H23N3O3S/c1-10(9-15)7-14(18)16-12-6-5-11(2)13(8-12)21(19,20)17(3)4/h5-6,8,10H,7,9,15H2,1-4H3,(H,16,18)
InChIKeyGGUGWCRFGBCKTJ-UHFFFAOYSA-N
XLogP1.17
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-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

3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide
CID 62670776
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide;hydrochloride
CID 120558768
7-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]heptanamide
CID 119675156
4-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-3-methylbutanamide
CID 81076245
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide
CID 61259264
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-5-hydroxypentanamide
CID 79194533
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(methylamino)butanamide
CID 61259448
3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenylpropanamide;hydrochloride
CID 119675164
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35062879
5-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide
CID 103601676
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylpentanamide;hydrochloride
CID 119675207
2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
CID 43346422

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide (CID 81084175) is 4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide is Cc1ccc(NC(=O)CC(C)CN)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide?
The InChIKey is GGUGWCRFGBCKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-10(9-15)7-14(18)16-12-6-5-11(2)13(8-12)21(19,20)17(3)4/h5-6,8,10H,7,9,15H2,1-4H3,(H,16,18).
What are the key properties of 4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide?
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide has a molecular weight of 313.42 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide is sourced from PubChem (CID 81084175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).