4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide

C21H27N3O4S — CID 6457606

IUPAC4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C21H27N3O4S/c1-22-29(26,27)18-10-7-17(8-11-18)9-12-21(25)24-15-13-23(14-16-24)19-5-3-4-6-20(19)28-2/h3-8,10-11,22H,9,12-16H2,1-2H3
InChIKeyPDVWWCCULISYCV-UHFFFAOYSA-N
MW417.53 g/mol
LogP1.88
Rot. Bonds7

About 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide

4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide (PubChem CID 6457606) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
PubChem CID6457606
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccccc3OC)CC2)cc1
InChIInChI=1S/C21H27N3O4S/c1-22-29(26,27)18-10-7-17(8-11-18)9-12-21(25)24-15-13-23(14-16-24)19-5-3-4-6-20(19)28-2/h3-8,10-11,22H,9,12-16H2,1-2H3
InChIKeyPDVWWCCULISYCV-UHFFFAOYSA-N
XLogP1.88
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-(2-phenylethyl)benzenesulfonamide
CID 126242055
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110300015
3-(3,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8867327
4-[3-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]-3-oxopropyl]benzamide
CID 166257013
3-(3-methoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 34318339
[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8808332
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941985
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzenesulfonamide
CID 126211914
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
CID 1021969
3-(benzylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109018947
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrrol-1-ylphenyl)ethanone
CID 46422555
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thiophene-2-sulfonamide
CID 9334371

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide (CID 6457606) is 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccccc3OC)CC2)cc1.
What is the InChIKey of 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide?
The InChIKey is PDVWWCCULISYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-22-29(26,27)18-10-7-17(8-11-18)9-12-21(25)24-15-13-23(14-16-24)19-5-3-4-6-20(19)28-2/h3-8,10-11,22H,9,12-16H2,1-2H3.
What are the key properties of 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide?
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide has a molecular weight of 417.53 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 6457606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).