2-(4-methylphenyl)sulfonyl-N-propylacetamide

C12H17NO3S — CID 3481576

IUPAC2-(4-methylphenyl)sulfonyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO3S/c1-3-8-13-12(14)9-17(15,16)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyXPPZZSJYRDBFSR-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.29
Rot. Bonds5

About 2-(4-methylphenyl)sulfonyl-N-propylacetamide

2-(4-methylphenyl)sulfonyl-N-propylacetamide (PubChem CID 3481576) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-N-propylacetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-N-propylacetamide
PubChem CID3481576
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-(4-methylphenyl)sulfonyl-N-propylacetamide
SMILESCCCNC(=O)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO3S/c1-3-8-13-12(14)9-17(15,16)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14)
InChIKeyXPPZZSJYRDBFSR-UHFFFAOYSA-N
XLogP1.29
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(4-methylphenyl)sulfonylacetamide
CID 64697569
2-(4-chlorophenyl)sulfonyl-N-propylacetamide
CID 24654499
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
2-(3,4-dimethylphenyl)sulfonyl-N-propylacetamide
CID 47218356
N-(3-butoxypropyl)-2-(4-methylphenyl)sulfonylacetamide
CID 17309477
2-[2-(4-methylanilino)-2-oxoethyl]sulfonyl-N-propylacetamide
CID 39083686
2-(4-methylphenyl)sulfonyl-N-pentan-3-ylacetamide
CID 17309471
2-methoxy-5-[2-oxo-2-(propylamino)ethyl]sulfonylbenzoic acid
CID 43323056
1-butyl-3-[(4-methylphenyl)sulfonylmethyl]urea
CID 102138486
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)sulfonylacetamide
CID 2966880
(2R)-2-[(4-methylphenyl)sulfonylamino]-N,N'-dipropylpentanediamide
CID 7126519
N'-butylsulfonyl-2-(4-methylphenyl)sulfonylacetohydrazide
CID 146673615

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-N-propylacetamide?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-N-propylacetamide (CID 3481576) is 2-(4-methylphenyl)sulfonyl-N-propylacetamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-N-propylacetamide?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-N-propylacetamide is CCCNC(=O)CS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-N-propylacetamide?
The InChIKey is XPPZZSJYRDBFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-3-8-13-12(14)9-17(15,16)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-methylphenyl)sulfonyl-N-propylacetamide?
2-(4-methylphenyl)sulfonyl-N-propylacetamide has a molecular weight of 255.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-N-propylacetamide is sourced from PubChem (CID 3481576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).