3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide

C14H22N2O3S — CID 32736543

IUPAC3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H22N2O3S/c1-4-8-15-14(17)7-9-16-20(18,19)13-6-5-11(2)12(3)10-13/h5-6,10,16H,4,7-9H2,1-3H3,(H,15,17)
InChIKeyIMNALTTWTGLGNK-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.50
Rot. Bonds7

About 3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide

3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide (PubChem CID 32736543) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide
PubChem CID32736543
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C14H22N2O3S/c1-4-8-15-14(17)7-9-16-20(18,19)13-6-5-11(2)12(3)10-13/h5-6,10,16H,4,7-9H2,1-3H3,(H,15,17)
InChIKeyIMNALTTWTGLGNK-UHFFFAOYSA-N
XLogP1.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 7972326
2-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]acetic acid
CID 119171670
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 51159054
N-[2-(4-chlorophenyl)ethyl]-3-[(3,4-dimethylphenyl)sulfonylamino]propanamide
CID 2385556
N-[4-[[3-[(3,4-dimethylphenyl)sulfonylamino]propanoylamino]methyl]phenyl]butanamide
CID 55848949
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[(5-ethylthiophen-2-yl)methyl]propanamide
CID 46475956
3-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 115421509
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide
CID 47218356
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
3-[[2-(methylamino)-4-pyridinyl]sulfonylamino]-N-propylpropanamide
CID 62152220
ethyl 4-[3-[(3,4-dimethylphenyl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 24981712

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide (CID 32736543) is 3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide is CCCNC(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide?
The InChIKey is IMNALTTWTGLGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-8-15-14(17)7-9-16-20(18,19)13-6-5-11(2)12(3)10-13/h5-6,10,16H,4,7-9H2,1-3H3,(H,15,17).
What are the key properties of 3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide?
3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide has a molecular weight of 298.41 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide is sourced from PubChem (CID 32736543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).