3-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]butanamide

C13H21N3O3S — CID 107329190

IUPAC3-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]butanamide
SMILESCNc1cc(C)c(S(=O)(=O)NC(C)CC(N)=O)c(C)c1
InChIInChI=1S/C13H21N3O3S/c1-8-5-11(15-4)6-9(2)13(8)20(18,19)16-10(3)7-12(14)17/h5-6,10,15-16H,7H2,1-4H3,(H2,14,17)
InChIKeyQKQNQQRZEGCGPX-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.89
Rot. Bonds6

About 3-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]butanamide

3-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]butanamide (PubChem CID 107329190) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]butanamide.

Molecular Properties

Compound Name3-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]butanamide
PubChem CID107329190
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name3-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]butanamide
SMILESCNc1cc(C)c(S(=O)(=O)NC(C)CC(N)=O)c(C)c1
InChIInChI=1S/C13H21N3O3S/c1-8-5-11(15-4)6-9(2)13(8)20(18,19)16-10(3)7-12(14)17/h5-6,10,15-16H,7H2,1-4H3,(H2,14,17)
InChIKeyQKQNQQRZEGCGPX-UHFFFAOYSA-N
XLogP0.89
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylsulfanylbutan-2-yl)-2,6-dimethyl-4-(methylamino)benzenesulfonamide
CID 107329229
2,6-dimethyl-4-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 107328797
4-hydrazinyl-2,6-dimethyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 107328140
N-[(2S)-1-aminopropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 68919996
N-[(2S)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668986
N-[(2R)-butan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 668985
4-(ethylamino)-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107328661
2-[(4-hydrazinyl-2,6-dimethylphenyl)sulfonylamino]acetamide
CID 107327783
3-(1H-pyrazol-5-ylsulfonylamino)butanamide
CID 102693407
2-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]-N-propylacetamide
CID 107328705
ethyl 2-[(4-amino-2,6-dimethylphenyl)sulfonylamino]propanoate
CID 79588437
2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331213

Frequently Asked Questions

What is the IUPAC name of 3-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]butanamide?
The IUPAC name of 3-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]butanamide (CID 107329190) is 3-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]butanamide.
What is the SMILES notation for 3-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]butanamide?
The canonical SMILES for 3-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]butanamide is CNc1cc(C)c(S(=O)(=O)NC(C)CC(N)=O)c(C)c1.
What is the InChIKey of 3-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]butanamide?
The InChIKey is QKQNQQRZEGCGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-8-5-11(15-4)6-9(2)13(8)20(18,19)16-10(3)7-12(14)17/h5-6,10,15-16H,7H2,1-4H3,(H2,14,17).
What are the key properties of 3-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]butanamide?
3-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]butanamide has a molecular weight of 299.40 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]butanamide is sourced from PubChem (CID 107329190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).