2-[2-(methylsulfamoyl)anilino]-N-propan-2-ylacetamide

C12H19N3O3S — CID 43567944

IUPAC2-[2-(methylsulfamoyl)anilino]-N-propan-2-ylacetamide
SMILESCNS(=O)(=O)c1ccccc1NCC(=O)NC(C)C
InChIInChI=1S/C12H19N3O3S/c1-9(2)15-12(16)8-14-10-6-4-5-7-11(10)19(17,18)13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)
InChIKeyCYBRAMIFTYKCKG-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.53
Rot. Bonds6

About 2-[2-(methylsulfamoyl)anilino]-N-propan-2-ylacetamide

2-[2-(methylsulfamoyl)anilino]-N-propan-2-ylacetamide (PubChem CID 43567944) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[2-(methylsulfamoyl)anilino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(methylsulfamoyl)anilino]-N-propan-2-ylacetamide
PubChem CID43567944
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[2-(methylsulfamoyl)anilino]-N-propan-2-ylacetamide
SMILESCNS(=O)(=O)c1ccccc1NCC(=O)NC(C)C
InChIInChI=1S/C12H19N3O3S/c1-9(2)15-12(16)8-14-10-6-4-5-7-11(10)19(17,18)13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)
InChIKeyCYBRAMIFTYKCKG-UHFFFAOYSA-N
XLogP0.53
TPSA87.30 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 ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[2-(methylsulfamoyl)anilino]acetamide
CID 43568446
2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 64596946
N-cyclopropyl-2-[2-(propan-2-ylsulfamoyl)anilino]acetamide
CID 43568444
N-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
CID 113282668
2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide
CID 115407635
2-bromo-N-[2-(methylsulfamoyl)phenyl]propanamide
CID 107903498
3-[2-(methylsulfamoyl)anilino]propanamide
CID 43553671
2-(2-methoxypropylamino)-N-methylbenzenesulfonamide
CID 102698834
N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide
CID 43749839
2-[[2-(methylsulfamoyl)anilino]methyl]butanoic acid
CID 65226875
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
CID 107441821
N-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 63199232

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylsulfamoyl)anilino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(methylsulfamoyl)anilino]-N-propan-2-ylacetamide (CID 43567944) is 2-[2-(methylsulfamoyl)anilino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(methylsulfamoyl)anilino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(methylsulfamoyl)anilino]-N-propan-2-ylacetamide is CNS(=O)(=O)c1ccccc1NCC(=O)NC(C)C.
What is the InChIKey of 2-[2-(methylsulfamoyl)anilino]-N-propan-2-ylacetamide?
The InChIKey is CYBRAMIFTYKCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-9(2)15-12(16)8-14-10-6-4-5-7-11(10)19(17,18)13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-(methylsulfamoyl)anilino]-N-propan-2-ylacetamide?
2-[2-(methylsulfamoyl)anilino]-N-propan-2-ylacetamide has a molecular weight of 285.37 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylsulfamoyl)anilino]-N-propan-2-ylacetamide is sourced from PubChem (CID 43567944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).