[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone

C17H20N2O5S2 — CID 1247100

IUPAC[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)cc1OC
InChIInChI=1S/C17H20N2O5S2/c1-23-14-6-5-13(12-15(14)24-2)26(21,22)19-9-7-18(8-10-19)17(20)16-4-3-11-25-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyVVXFVQXWXDVKFB-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.91
Rot. Bonds5

About [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone

[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 1247100) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID1247100
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC Name[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)cc1OC
InChIInChI=1S/C17H20N2O5S2/c1-23-14-6-5-13(12-15(14)24-2)26(21,22)19-9-7-18(8-10-19)17(20)16-4-3-11-25-16/h3-6,11-12H,7-10H2,1-2H3
InChIKeyVVXFVQXWXDVKFB-UHFFFAOYSA-N
XLogP1.91
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone 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 [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone (CID 1247100) is [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)cc1OC.
What is the InChIKey of [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is VVXFVQXWXDVKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-23-14-6-5-13(12-15(14)24-2)26(21,22)19-9-7-18(8-10-19)17(20)16-4-3-11-25-16/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone?
[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 396.49 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 1247100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).