4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide

C12H19N3O3S — CID 119342097

IUPAC4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)CCCN)c1C
InChIInChI=1S/C12H19N3O3S/c1-9-10(15-12(16)7-4-8-13)5-3-6-11(9)19(17,18)14-2/h3,5-6,14H,4,7-8,13H2,1-2H3,(H,15,16)
InChIKeyLZQRYPNLGCCJRO-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.58
Rot. Bonds6

About 4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide

4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide (PubChem CID 119342097) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide
PubChem CID119342097
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide
SMILESCNS(=O)(=O)c1cccc(NC(=O)CCCN)c1C
InChIInChI=1S/C12H19N3O3S/c1-9-10(15-12(16)7-4-8-13)5-3-6-11(9)19(17,18)14-2/h3,5-6,14H,4,7-8,13H2,1-2H3,(H,15,16)
InChIKeyLZQRYPNLGCCJRO-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]butanamide
CID 119301626
5-[2-(methylsulfamoyl)anilino]-5-oxopentanoic acid
CID 60940929
4-amino-N-[2-(methanesulfonamido)phenyl]butanamide
CID 43710881
1-butyl-3-[2-methyl-3-(methylsulfamoyl)phenyl]urea
CID 71914641
6-amino-N-(3-chloro-2-methylphenyl)hexanamide
CID 24711595
7-amino-N-(3-iodo-2-methylphenyl)heptanamide
CID 114257248
4-amino-N-(2-methyl-3-nitrophenyl)butanamide;hydrochloride
CID 119264091
2-methyl-3-(methylamino)-N-[2-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119815897
3-amino-2-methyl-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide;hydrochloride
CID 120502124
7-amino-N-[2-methyl-3-(propylsulfonylamino)phenyl]heptanamide
CID 119745689
4-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119164498
3-amino-N-(2-sulfamoylphenyl)propanamide
CID 10705385

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide?
The IUPAC name of 4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide (CID 119342097) is 4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide is CNS(=O)(=O)c1cccc(NC(=O)CCCN)c1C.
What is the InChIKey of 4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide?
The InChIKey is LZQRYPNLGCCJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9-10(15-12(16)7-4-8-13)5-3-6-11(9)19(17,18)14-2/h3,5-6,14H,4,7-8,13H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide?
4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide has a molecular weight of 285.37 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-methyl-3-(methylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 119342097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).