4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide

C12H19N3O3S — CID 80542754

IUPAC4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)C(C)CCN)cc1
InChIInChI=1S/C12H19N3O3S/c1-9(7-8-13)12(16)15-10-3-5-11(6-4-10)19(17,18)14-2/h3-6,9,14H,7-8,13H2,1-2H3,(H,15,16)
InChIKeyZAXYCXHYZKPAAY-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.52
Rot. Bonds6

About 4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide

4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide (PubChem CID 80542754) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide
PubChem CID80542754
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)C(C)CCN)cc1
InChIInChI=1S/C12H19N3O3S/c1-9(7-8-13)12(16)15-10-3-5-11(6-4-10)19(17,18)14-2/h3-6,9,14H,7-8,13H2,1-2H3,(H,15,16)
InChIKeyZAXYCXHYZKPAAY-UHFFFAOYSA-N
XLogP0.52
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 79196433
2-methyl-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 17069914
N-(4-acetamidophenyl)-4-amino-2-methylbutanamide
CID 80542104
5-amino-N-[4-(ethylsulfamoyl)phenyl]-2-methylpentanamide
CID 104684086
(2S)-2-amino-N-[4-(methylsulfamoyl)phenyl]pentanamide
CID 107568654
2-(carbamoylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 24635394
N-(4-acetylphenyl)-4-amino-2-methylbutanamide
CID 80543884
2-amino-N-[4-(methylsulfamoyl)phenyl]butanediamide
CID 60851728
(2R)-2-methyl-N-(4-sulfamoylphenyl)pentanamide
CID 670213
4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 80542056
4-amino-2-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
CID 80543396
4-amino-N-(3,4-difluorophenyl)-2-methylbutanamide
CID 80542126

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide?
The IUPAC name of 4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide (CID 80542754) is 4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide is CNS(=O)(=O)c1ccc(NC(=O)C(C)CCN)cc1.
What is the InChIKey of 4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide?
The InChIKey is ZAXYCXHYZKPAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9(7-8-13)12(16)15-10-3-5-11(6-4-10)19(17,18)14-2/h3-6,9,14H,7-8,13H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide?
4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide has a molecular weight of 285.37 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-[4-(methylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 80542754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).