4-acetyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide

C15H24N2O3S — CID 103189656

IUPAC4-acetyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-6-17(12(2)11-16(4)5)21(19,20)15-9-7-14(8-10-15)13(3)18/h7-10,12H,6,11H2,1-5H3
InChIKeyFTXXYNOSESZTCE-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.85
Rot. Bonds7

About 4-acetyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide

4-acetyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide (PubChem CID 103189656) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-acetyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
PubChem CID103189656
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-acetyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1ccc(C(C)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-6-17(12(2)11-16(4)5)21(19,20)15-9-7-14(8-10-15)13(3)18/h7-10,12H,6,11H2,1-5H3
InChIKeyFTXXYNOSESZTCE-UHFFFAOYSA-N
XLogP1.85
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-butan-2-yl-N-ethylbenzenesulfonamide
CID 43274837
4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-fluorobenzenesulfonamide
CID 103270437
3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 106546875
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 103192204
3-[(4-carbamoylphenyl)sulfonyl-ethylamino]butanoic acid
CID 62826009
4-acetyl-N-(2,2-dimethoxyethyl)-N-methylbenzenesulfonamide
CID 3724820
6-cyano-N-[1-(dimethylamino)propan-2-yl]-N-ethylpyridine-3-sulfonamide
CID 103188942
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-(4-methylpentan-2-yl)acetamide
CID 55584143
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103190536
4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 115776811
4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 26034569
1-[4-[1-(dimethylamino)propan-2-ylamino]phenyl]ethanone
CID 114468361

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide?
The IUPAC name of 4-acetyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide (CID 103189656) is 4-acetyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide is CCN(C(C)CN(C)C)S(=O)(=O)c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-acetyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide?
The InChIKey is FTXXYNOSESZTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-6-17(12(2)11-16(4)5)21(19,20)15-9-7-14(8-10-15)13(3)18/h7-10,12H,6,11H2,1-5H3.
What are the key properties of 4-acetyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide?
4-acetyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 103189656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).