4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide

C19H24N2O3S — CID 51249681

IUPAC4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCCN(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-16(22)18-9-11-19(12-10-18)25(23,24)20-13-6-14-21(2)15-17-7-4-3-5-8-17/h3-5,7-12,20H,6,13-15H2,1-2H3
InChIKeyACSBAMWKVVDVPS-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.69
Rot. Bonds9

About 4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide

4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide (PubChem CID 51249681) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide
PubChem CID51249681
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCCN(C)Cc2ccccc2)cc1
InChIInChI=1S/C19H24N2O3S/c1-16(22)18-9-11-19(12-10-18)25(23,24)20-13-6-14-21(2)15-17-7-4-3-5-8-17/h3-5,7-12,20H,6,13-15H2,1-2H3
InChIKeyACSBAMWKVVDVPS-UHFFFAOYSA-N
XLogP2.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[benzyl(methyl)amino]propyl]-3,4-dimethylbenzenesulfonamide
CID 110446606
N-[3-[benzyl(methyl)amino]propyl]-3,5-difluorobenzenesulfonamide
CID 47015302
N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
CID 58729767
N-benzyl-4-[3-(dimethylamino)propylsulfamoyl]benzamide
CID 109060284
N-[3-[3-(benzenesulfonamido)propyl-benzylamino]propyl]benzenesulfonamide
CID 11584206
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
N-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55435788
N-[2-[benzyl(methyl)amino]ethyl]-4-[[(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 20854214
4-acetyl-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 47813772
4-acetyl-N-(2-chloroethyl)benzenesulfonamide
CID 61286446
4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 4883799
N-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide
CID 47013259

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide (CID 51249681) is 4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCCCN(C)Cc2ccccc2)cc1.
What is the InChIKey of 4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide?
The InChIKey is ACSBAMWKVVDVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-16(22)18-9-11-19(12-10-18)25(23,24)20-13-6-14-21(2)15-17-7-4-3-5-8-17/h3-5,7-12,20H,6,13-15H2,1-2H3.
What are the key properties of 4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide?
4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide is sourced from PubChem (CID 51249681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).