4-acetyl-N-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide

C24H31N3O6S — CID 55330245

IUPAC4-acetyl-N-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(CN2CCN(C(=O)CCNS(=O)(=O)c3ccc(C(C)=O)cc3)CC2)c1
InChIInChI=1S/C24H31N3O6S/c1-18(28)19-4-7-22(8-5-19)34(30,31)25-11-10-24(29)27-14-12-26(13-15-27)17-20-16-21(32-2)6-9-23(20)33-3/h4-9,16,25H,10-15,17H2,1-3H3
InChIKeyUPDXQLYGLXQOBD-UHFFFAOYSA-N
MW489.59 g/mol
LogP1.92
Rot. Bonds10

About 4-acetyl-N-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide

4-acetyl-N-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide (PubChem CID 55330245) has the molecular formula C24H31N3O6S and a molecular weight of 489.59 g/mol. Its IUPAC name is 4-acetyl-N-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
PubChem CID55330245
Molecular FormulaC24H31N3O6S
Molecular Weight489.59 g/mol
Exact Mass489.19
IUPAC Name4-acetyl-N-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCOc1ccc(OC)c(CN2CCN(C(=O)CCNS(=O)(=O)c3ccc(C(C)=O)cc3)CC2)c1
InChIInChI=1S/C24H31N3O6S/c1-18(28)19-4-7-22(8-5-19)34(30,31)25-11-10-24(29)27-14-12-26(13-15-27)17-20-16-21(32-2)6-9-23(20)33-3/h4-9,16,25H,10-15,17H2,1-3H3
InChIKeyUPDXQLYGLXQOBD-UHFFFAOYSA-N
XLogP1.92
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-acetyl-N-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide with MolForge

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Related Compounds

4-methoxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 5083215
4-acetyl-N-[3-(4-methoxypiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 55480449
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxy-3-methylbenzenesulfonamide
CID 110287214
3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide
CID 110287226
N-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55347503
(3,4-dimethoxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131708
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 9452417
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-indol-1-ylpropan-1-one
CID 37350399
3-(2-chlorophenyl)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 37350811
4-acetyl-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55850851
1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone
CID 78821506
4-acetyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 31688731

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide (CID 55330245) is 4-acetyl-N-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide is COc1ccc(OC)c(CN2CCN(C(=O)CCNS(=O)(=O)c3ccc(C(C)=O)cc3)CC2)c1.
What is the InChIKey of 4-acetyl-N-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is UPDXQLYGLXQOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6S/c1-18(28)19-4-7-22(8-5-19)34(30,31)25-11-10-24(29)27-14-12-26(13-15-27)17-20-16-21(32-2)6-9-23(20)33-3/h4-9,16,25H,10-15,17H2,1-3H3.
What are the key properties of 4-acetyl-N-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide?
4-acetyl-N-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 489.59 g/mol, XLogP of 1.92, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 55330245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).