3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide

C13H21N3O3S — CID 62670776

IUPAC3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)CN)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C13H21N3O3S/c1-9-5-6-11(15-13(17)10(2)8-14)7-12(9)20(18,19)16(3)4/h5-7,10H,8,14H2,1-4H3,(H,15,17)
InChIKeyWTVOUNOBWJFCHK-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.78
Rot. Bonds5

About 3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide

3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide (PubChem CID 62670776) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide
PubChem CID62670776
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide
SMILESCc1ccc(NC(=O)C(C)CN)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C13H21N3O3S/c1-9-5-6-11(15-13(17)10(2)8-14)7-12(9)20(18,19)16(3)4/h5-7,10H,8,14H2,1-4H3,(H,15,17)
InChIKeyWTVOUNOBWJFCHK-UHFFFAOYSA-N
XLogP0.78
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]butanamide
CID 61259264
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
CID 81084175
3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenylpropanamide;hydrochloride
CID 119675164
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylpentanamide;hydrochloride
CID 119675207
2-bromo-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-methylbutanamide
CID 43346422
3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide
CID 62671199
4-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pentanamide;hydrochloride
CID 120558768
2-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-3-phenylpropanamide
CID 119263742
2-methyl-N-(4-methyl-3-sulfamoylphenyl)butanamide
CID 51331861
(2S)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
CID 7812070
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenoxypropanamide
CID 5138475
2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-hydroxyacetamide
CID 154862984

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide?
The IUPAC name of 3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide (CID 62670776) is 3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide.
What is the SMILES notation for 3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide?
The canonical SMILES for 3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide is Cc1ccc(NC(=O)C(C)CN)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide?
The InChIKey is WTVOUNOBWJFCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9-5-6-11(15-13(17)10(2)8-14)7-12(9)20(18,19)16(3)4/h5-7,10H,8,14H2,1-4H3,(H,15,17).
What are the key properties of 3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide?
3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide has a molecular weight of 299.40 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-methylpropanamide is sourced from PubChem (CID 62670776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).