2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide

C13H19NO3S — CID 47218356

IUPAC2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C13H19NO3S/c1-4-7-14-13(15)9-18(16,17)12-6-5-10(2)11(3)8-12/h5-6,8H,4,7,9H2,1-3H3,(H,14,15)
InChIKeyCTWDKZHZIXLZKA-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.60
Rot. Bonds5

About 2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide

2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide (PubChem CID 47218356) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide
PubChem CID47218356
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C13H19NO3S/c1-4-7-14-13(15)9-18(16,17)12-6-5-10(2)11(3)8-12/h5-6,8H,4,7,9H2,1-3H3,(H,14,15)
InChIKeyCTWDKZHZIXLZKA-UHFFFAOYSA-N
XLogP1.60
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)sulfonyl-N-propylacetamide
CID 3481576
2-(4-chlorophenyl)sulfonyl-N-propylacetamide
CID 24654499
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
2-methoxy-5-[2-oxo-2-(propylamino)ethyl]sulfonylbenzoic acid
CID 43323056
3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide
CID 32736543
5-[2-(ethylamino)-2-oxoethyl]sulfonyl-2-methylbenzoic acid
CID 43140723
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 7972326
N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide
CID 64697569
2-(3,4-dimethylphenyl)sulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 126817804
N-(3-butoxypropyl)-2-(4-methylphenyl)sulfonylacetamide
CID 17309477
2-(2-amino-5-fluorophenyl)sulfonyl-N-propylacetamide
CID 81183009
2-(3,4-dimethylphenyl)sulfonyl-N-methylethanamine
CID 64640024

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide (CID 47218356) is 2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide is CCCNC(=O)CS(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide?
The InChIKey is CTWDKZHZIXLZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-4-7-14-13(15)9-18(16,17)12-6-5-10(2)11(3)8-12/h5-6,8H,4,7,9H2,1-3H3,(H,14,15).
What are the key properties of 2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide?
2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide has a molecular weight of 269.37 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide is sourced from PubChem (CID 47218356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).