3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide

C13H20N2O4S — CID 78783386

IUPAC3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCCO)c(C)c1
InChIInChI=1S/C13H20N2O4S/c1-10-3-4-12(11(2)9-10)20(18,19)15-6-5-13(17)14-7-8-16/h3-4,9,15-16H,5-8H2,1-2H3,(H,14,17)
InChIKeyWIKVIQKIYOPDIW-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.08
Rot. Bonds7

About 3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide

3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide (PubChem CID 78783386) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide
PubChem CID78783386
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCCO)c(C)c1
InChIInChI=1S/C13H20N2O4S/c1-10-3-4-12(11(2)9-10)20(18,19)15-6-5-13(17)14-7-8-16/h3-4,9,15-16H,5-8H2,1-2H3,(H,14,17)
InChIKeyWIKVIQKIYOPDIW-UHFFFAOYSA-N
XLogP0.08
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-oxopentanamide
CID 108574932
N-(3-butoxypropyl)-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 55349463
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[4-(4-methylphenoxy)butyl]propanamide
CID 55869727
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108572101
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 31391784
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 51162258
N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 46587654
3-cyclohexyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108573893
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 51164021
4-[3-[(2,4-dimethylphenyl)sulfonylamino]propanoylamino]benzamide
CID 9441778
3-[(2,4-dimethylphenyl)sulfonylamino]-N-methoxy-N-methylpropanamide
CID 47159796
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 24637071

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide (CID 78783386) is 3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NCCO)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide?
The InChIKey is WIKVIQKIYOPDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10-3-4-12(11(2)9-10)20(18,19)15-6-5-13(17)14-7-8-16/h3-4,9,15-16H,5-8H2,1-2H3,(H,14,17).
What are the key properties of 3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide?
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide has a molecular weight of 300.38 g/mol, XLogP of 0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 78783386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).