4-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide

C22H27N3O4S — CID 31688731

IUPAC4-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H27N3O4S/c1-17-4-3-5-20(16-17)24-12-14-25(15-13-24)22(27)10-11-23-30(28,29)21-8-6-19(7-9-21)18(2)26/h3-9,16,23H,10-15H2,1-2H3
InChIKeyDLCIQQGLAHHYMR-UHFFFAOYSA-N
MW429.54 g/mol
LogP2.21
Rot. Bonds7

About 4-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide

4-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide (PubChem CID 31688731) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 4-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
PubChem CID31688731
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name4-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc(C)c3)CC2)cc1
InChIInChI=1S/C22H27N3O4S/c1-17-4-3-5-20(16-17)24-12-14-25(15-13-24)22(27)10-11-23-30(28,29)21-8-6-19(7-9-21)18(2)26/h3-9,16,23H,10-15H2,1-2H3
InChIKeyDLCIQQGLAHHYMR-UHFFFAOYSA-N
XLogP2.21
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[4-(4-acetylphenyl)piperazin-1-yl]-3-oxopropyl]-3-bromobenzenesulfonamide
CID 31541405
3,4-dimethyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 3466822
4-acetyl-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55850851
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobutanoate
CID 6950012
3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 78774480
4-acetyl-N-[3-(4-methoxypiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 55480449
3-[(4-fluorophenyl)sulfonylamino]-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propanamide
CID 55662298
N-[3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4-tert-butylbenzenesulfonamide
CID 24552345
4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 17154059
4-nitro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 17192800
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
3-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 110371205

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide (CID 31688731) is 4-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc(C)c3)CC2)cc1.
What is the InChIKey of 4-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is DLCIQQGLAHHYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-17-4-3-5-20(16-17)24-12-14-25(15-13-24)22(27)10-11-23-30(28,29)21-8-6-19(7-9-21)18(2)26/h3-9,16,23H,10-15H2,1-2H3.
What are the key properties of 4-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
4-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 429.54 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 31688731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).