2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide

C21H28N4O5S — CID 42438465

IUPAC2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
SMILESCOc1cccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1OC
InChIInChI=1S/C21H28N4O5S/c1-29-18-8-5-7-17(20(18)30-2)21(26)23-11-6-16-31(27,28)25-14-12-24(13-15-25)19-9-3-4-10-22-19/h3-5,7-10H,6,11-16H2,1-2H3,(H,23,26)
InChIKeyPRVXPWMJBRSKBN-UHFFFAOYSA-N
MW448.55 g/mol
LogP1.37
Rot. Bonds9

About 2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide

2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide (PubChem CID 42438465) has the molecular formula C21H28N4O5S and a molecular weight of 448.55 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
PubChem CID42438465
Molecular FormulaC21H28N4O5S
Molecular Weight448.55 g/mol
Exact Mass448.18
IUPAC Name2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
SMILESCOc1cccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1OC
InChIInChI=1S/C21H28N4O5S/c1-29-18-8-5-7-17(20(18)30-2)21(26)23-11-6-16-31(27,28)25-14-12-24(13-15-25)19-9-3-4-10-22-19/h3-5,7-10H,6,11-16H2,1-2H3,(H,23,26)
InChIKeyPRVXPWMJBRSKBN-UHFFFAOYSA-N
XLogP1.37
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-bromo-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42439001
4-methoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42438917
2-ethyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]butanamide
CID 42438782
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]propanamide
CID 42438737
2,4-dichloro-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42439032
N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]thiophene-2-carboxamide
CID 42438637
3-chloro-4-ethoxy-5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]benzamide
CID 46455832
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 22578896
2-(4-chlorophenyl)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42439212
2-cyclohexyl-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438806
2-(4-fluorophenoxy)-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]acetamide
CID 42438580
2,3-dimethoxy-N-[2-[4-(2-phenylethyl)piperazin-1-yl]sulfonylethyl]benzamide
CID 16881215

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide (CID 42438465) is 2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide is COc1cccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide?
The InChIKey is PRVXPWMJBRSKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5S/c1-29-18-8-5-7-17(20(18)30-2)21(26)23-11-6-16-31(27,28)25-14-12-24(13-15-25)19-9-3-4-10-22-19/h3-5,7-10H,6,11-16H2,1-2H3,(H,23,26).
What are the key properties of 2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide?
2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide has a molecular weight of 448.55 g/mol, XLogP of 1.37, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[3-(4-pyridin-2-ylpiperazin-1-yl)sulfonylpropyl]benzamide is sourced from PubChem (CID 42438465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).