3-(4-methoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one

C24H26N2O4S — CID 4881152

IUPAC3-(4-methoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C24H26N2O4S/c1-30-22-10-6-19(7-11-22)8-13-24(27)25-14-16-26(17-15-25)31(28,29)23-12-9-20-4-2-3-5-21(20)18-23/h2-7,9-12,18H,8,13-17H2,1H3
InChIKeyOZHZGEIDHBGVSA-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.31
Rot. Bonds6

About 3-(4-methoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one

3-(4-methoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one (PubChem CID 4881152) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one
PubChem CID4881152
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name3-(4-methoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C24H26N2O4S/c1-30-22-10-6-19(7-11-22)8-13-24(27)25-14-16-26(17-15-25)31(28,29)23-12-9-20-4-2-3-5-21(20)18-23/h2-7,9-12,18H,8,13-17H2,1H3
InChIKeyOZHZGEIDHBGVSA-UHFFFAOYSA-N
XLogP3.31
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one (CID 4881152) is 3-(4-methoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one is COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one?
The InChIKey is OZHZGEIDHBGVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-30-22-10-6-19(7-11-22)8-13-24(27)25-14-16-26(17-15-25)31(28,29)23-12-9-20-4-2-3-5-21(20)18-23/h2-7,9-12,18H,8,13-17H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one?
3-(4-methoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one has a molecular weight of 438.55 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 4881152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).