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

C15H23NO3S — CID 86992879

IUPAC2-(3,4-dimethylphenyl)sulfonyl-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H23NO3S/c1-6-16(7-2)15(17)13(5)20(18,19)14-9-8-11(3)12(4)10-14/h8-10,13H,6-7H2,1-5H3
InChIKeySBPHUBQGRSMZIM-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.33
Rot. Bonds5

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

2-(3,4-dimethylphenyl)sulfonyl-N,N-diethylpropanamide (PubChem CID 86992879) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfonyl-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfonyl-N,N-diethylpropanamide
PubChem CID86992879
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-(3,4-dimethylphenyl)sulfonyl-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H23NO3S/c1-6-16(7-2)15(17)13(5)20(18,19)14-9-8-11(3)12(4)10-14/h8-10,13H,6-7H2,1-5H3
InChIKeySBPHUBQGRSMZIM-UHFFFAOYSA-N
XLogP2.33
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethyl-4-propan-2-ylsulfonylbenzene
CID 58551166
(2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide
CID 95156763
2-(3,4-dimethylphenyl)sulfonyl-3-methylpentanenitrile
CID 79446886
2-(4-amino-3-methylphenyl)sulfonyl-N-pentylpropanamide
CID 81185850
2-(2-amino-4-chlorophenyl)sulfonyl-N,N-diethylpropanamide
CID 81175485
2-[1-(diethylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid
CID 43117020
3-(3,4-dimethylphenyl)sulfonylpentanenitrile
CID 64691790
(3,4-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane
CID 125425039
(2S)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173476
3-[tert-butyl-(3,4-dimethylphenyl)-oxo-λ6-sulfanylidene]-1,1-di(propan-2-yl)urea
CID 176774376
5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N,N-diethylpropanamide
CID 3970526

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfonyl-N,N-diethylpropanamide?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfonyl-N,N-diethylpropanamide (CID 86992879) is 2-(3,4-dimethylphenyl)sulfonyl-N,N-diethylpropanamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfonyl-N,N-diethylpropanamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfonyl-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)S(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfonyl-N,N-diethylpropanamide?
The InChIKey is SBPHUBQGRSMZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-6-16(7-2)15(17)13(5)20(18,19)14-9-8-11(3)12(4)10-14/h8-10,13H,6-7H2,1-5H3.
What are the key properties of 2-(3,4-dimethylphenyl)sulfonyl-N,N-diethylpropanamide?
2-(3,4-dimethylphenyl)sulfonyl-N,N-diethylpropanamide has a molecular weight of 297.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfonyl-N,N-diethylpropanamide is sourced from PubChem (CID 86992879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).