N-[(3,4-dimethoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide

C19H25N3O5S2 — CID 2397966

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESCOc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)cc1OC
InChIInChI=1S/C19H25N3O5S2/c1-26-16-6-5-15(12-17(16)27-2)13-20-18(23)14-21-7-9-22(10-8-21)29(24,25)19-4-3-11-28-19/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,20,23)
InChIKeyOLOFNHUGRWJZMI-UHFFFAOYSA-N
MW439.56 g/mol
LogP1.39
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide (PubChem CID 2397966) has the molecular formula C19H25N3O5S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
PubChem CID2397966
Molecular FormulaC19H25N3O5S2
Molecular Weight439.56 g/mol
Exact Mass439.12
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
SMILESCOc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)cc1OC
InChIInChI=1S/C19H25N3O5S2/c1-26-16-6-5-15(12-17(16)27-2)13-20-18(23)14-21-7-9-22(10-8-21)29(24,25)19-4-3-11-28-19/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,20,23)
InChIKeyOLOFNHUGRWJZMI-UHFFFAOYSA-N
XLogP1.39
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3,4-dimethoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide 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 N-[(3,4-dimethoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide (CID 2397966) is N-[(3,4-dimethoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide is COc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3cccs3)CC2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is OLOFNHUGRWJZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S2/c1-26-16-6-5-15(12-17(16)27-2)13-20-18(23)14-21-7-9-22(10-8-21)29(24,25)19-4-3-11-28-19/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,20,23).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 439.56 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 2397966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).