2-[4-(dimethylsulfamoyl)anilino]-3-methylbutanamide

C13H21N3O3S — CID 106345924

IUPAC2-[4-(dimethylsulfamoyl)anilino]-3-methylbutanamide
SMILESCC(C)C(Nc1ccc(S(=O)(=O)N(C)C)cc1)C(N)=O
InChIInChI=1S/C13H21N3O3S/c1-9(2)12(13(14)17)15-10-5-7-11(8-6-10)20(18,19)16(3)4/h5-9,12,15H,1-4H3,(H2,14,17)
InChIKeyYFXIGWJCMWGSNJ-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.86
Rot. Bonds6

About 2-[4-(dimethylsulfamoyl)anilino]-3-methylbutanamide

2-[4-(dimethylsulfamoyl)anilino]-3-methylbutanamide (PubChem CID 106345924) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)anilino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)anilino]-3-methylbutanamide
PubChem CID106345924
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-[4-(dimethylsulfamoyl)anilino]-3-methylbutanamide
SMILESCC(C)C(Nc1ccc(S(=O)(=O)N(C)C)cc1)C(N)=O
InChIInChI=1S/C13H21N3O3S/c1-9(2)12(13(14)17)15-10-5-7-11(8-6-10)20(18,19)16(3)4/h5-9,12,15H,1-4H3,(H2,14,17)
InChIKeyYFXIGWJCMWGSNJ-UHFFFAOYSA-N
XLogP0.86
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(dimethylsulfamoyl)anilino]butanoic acid
CID 43453879
2-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]-3-methylbutanamide
CID 65226088
N,N-dimethyl-4-[1-(1-methylcyclopropyl)ethylamino]benzenesulfonamide
CID 43682540
2-cyclopropyl-2-[4-(dimethylsulfamoyl)anilino]acetic acid
CID 62696169
2-[4-(dimethylsulfamoyl)anilino]-N,N-dimethylacetamide
CID 43387793
4-(dicyclopropylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 43682546
(2R)-2-(4-ethylsulfonylanilino)-3-methylbutanoic acid
CID 94161069
2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide
CID 43545447
(1-amino-1-oxopropan-2-yl) 4-(dimethylsulfamoyl)benzoate
CID 46789274
4-[(1-chloro-4-methylpentan-2-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 65029603
N-[4-(carbamoylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 33152473
4-[4-(dimethylsulfamoyl)anilino]butanamide
CID 60863966

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)anilino]-3-methylbutanamide?
The IUPAC name of 2-[4-(dimethylsulfamoyl)anilino]-3-methylbutanamide (CID 106345924) is 2-[4-(dimethylsulfamoyl)anilino]-3-methylbutanamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)anilino]-3-methylbutanamide?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)anilino]-3-methylbutanamide is CC(C)C(Nc1ccc(S(=O)(=O)N(C)C)cc1)C(N)=O.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)anilino]-3-methylbutanamide?
The InChIKey is YFXIGWJCMWGSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9(2)12(13(14)17)15-10-5-7-11(8-6-10)20(18,19)16(3)4/h5-9,12,15H,1-4H3,(H2,14,17).
What are the key properties of 2-[4-(dimethylsulfamoyl)anilino]-3-methylbutanamide?
2-[4-(dimethylsulfamoyl)anilino]-3-methylbutanamide has a molecular weight of 299.40 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)anilino]-3-methylbutanamide is sourced from PubChem (CID 106345924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).