3-methyl-3-[2-(methylsulfamoyl)anilino]butanamide

C12H19N3O3S — CID 106097032

IUPAC3-methyl-3-[2-(methylsulfamoyl)anilino]butanamide
SMILESCNS(=O)(=O)c1ccccc1NC(C)(C)CC(N)=O
InChIInChI=1S/C12H19N3O3S/c1-12(2,8-11(13)16)15-9-6-4-5-7-10(9)19(17,18)14-3/h4-7,14-15H,8H2,1-3H3,(H2,13,16)
InChIKeyOJLBWYKZWDOSQC-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.66
Rot. Bonds6

About 3-methyl-3-[2-(methylsulfamoyl)anilino]butanamide

3-methyl-3-[2-(methylsulfamoyl)anilino]butanamide (PubChem CID 106097032) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-methyl-3-[2-(methylsulfamoyl)anilino]butanamide.

Molecular Properties

Compound Name3-methyl-3-[2-(methylsulfamoyl)anilino]butanamide
PubChem CID106097032
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-methyl-3-[2-(methylsulfamoyl)anilino]butanamide
SMILESCNS(=O)(=O)c1ccccc1NC(C)(C)CC(N)=O
InChIInChI=1S/C12H19N3O3S/c1-12(2,8-11(13)16)15-9-6-4-5-7-10(9)19(17,18)14-3/h4-7,14-15H,8H2,1-3H3,(H2,13,16)
InChIKeyOJLBWYKZWDOSQC-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-[[2-(methylamino)phenyl]sulfonylamino]butanamide
CID 106098324
3-[2-(methylsulfamoyl)anilino]propanamide
CID 43553671
3-(2-amino-3-methylsulfonylanilino)-3-methylbutanamide
CID 106095627
2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-methylbenzenesulfonamide
CID 106171730
3-[2-amino-3-(dimethylsulfamoyl)anilino]-3-methylbutanamide
CID 106095636
3-(benzenesulfonamido)-3-methylbutanamide
CID 104600859
3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 113431409
2-[[2-(methylsulfamoyl)phenyl]sulfamoyl]acetic acid
CID 43696150
2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 62951903
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(methylsulfamoyl)phenyl]propanamide
CID 79789955
2-ethyl-2-[[2-(methylsulfamoyl)anilino]methyl]butanoic acid
CID 115430195
N-cyclopropyl-2-[2-(methylsulfamoyl)anilino]acetamide
CID 43568446

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-(methylsulfamoyl)anilino]butanamide?
The IUPAC name of 3-methyl-3-[2-(methylsulfamoyl)anilino]butanamide (CID 106097032) is 3-methyl-3-[2-(methylsulfamoyl)anilino]butanamide.
What is the SMILES notation for 3-methyl-3-[2-(methylsulfamoyl)anilino]butanamide?
The canonical SMILES for 3-methyl-3-[2-(methylsulfamoyl)anilino]butanamide is CNS(=O)(=O)c1ccccc1NC(C)(C)CC(N)=O.
What is the InChIKey of 3-methyl-3-[2-(methylsulfamoyl)anilino]butanamide?
The InChIKey is OJLBWYKZWDOSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-12(2,8-11(13)16)15-9-6-4-5-7-10(9)19(17,18)14-3/h4-7,14-15H,8H2,1-3H3,(H2,13,16).
What are the key properties of 3-methyl-3-[2-(methylsulfamoyl)anilino]butanamide?
3-methyl-3-[2-(methylsulfamoyl)anilino]butanamide has a molecular weight of 285.37 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-(methylsulfamoyl)anilino]butanamide is sourced from PubChem (CID 106097032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).