2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridine-3-carboxamide

C14H22N4O4S — CID 141012529

IUPAC2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridine-3-carboxamide
SMILESCCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1C(N)=O
InChIInChI=1S/C14H22N4O4S/c1-3-17-5-7-18(8-6-17)23(20,21)11-9-12(13(15)19)14(16-10-11)22-4-2/h9-10H,3-8H2,1-2H3,(H2,15,19)
InChIKeyWOYAWWJBYYWTFH-UHFFFAOYSA-N
MW342.42 g/mol
LogP-0.09
Rot. Bonds6

About 2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridine-3-carboxamide

2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridine-3-carboxamide (PubChem CID 141012529) has the molecular formula C14H22N4O4S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridine-3-carboxamide
PubChem CID141012529
Molecular FormulaC14H22N4O4S
Molecular Weight342.42 g/mol
Exact Mass342.14
IUPAC Name2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridine-3-carboxamide
SMILESCCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1C(N)=O
InChIInChI=1S/C14H22N4O4S/c1-3-17-5-7-18(8-6-17)23(20,21)11-9-12(13(15)19)14(16-10-11)22-4-2/h9-10H,3-8H2,1-2H3,(H2,15,19)
InChIKeyWOYAWWJBYYWTFH-UHFFFAOYSA-N
XLogP-0.09
TPSA105.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridine-3-carboxamide 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 2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridine-3-carboxamide (CID 141012529) is 2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridine-3-carboxamide is CCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1C(N)=O.
What is the InChIKey of 2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridine-3-carboxamide?
The InChIKey is WOYAWWJBYYWTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4S/c1-3-17-5-7-18(8-6-17)23(20,21)11-9-12(13(15)19)14(16-10-11)22-4-2/h9-10H,3-8H2,1-2H3,(H2,15,19).
What are the key properties of 2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridine-3-carboxamide?
2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridine-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of -0.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylpyridine-3-carboxamide is sourced from PubChem (CID 141012529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).