6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide

C25H27N5O4S — CID 167784135

IUPAC6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)cc1
InChIInChI=1S/C25H27N5O4S/c1-2-30(21-6-4-3-5-7-21)35(33,34)22-11-8-19(9-12-22)25(32)29-16-14-28(15-17-29)23-13-10-20(18-27-23)24(26)31/h3-13,18H,2,14-17H2,1H3,(H2,26,31)
InChIKeyOVSROTWWNCWGAS-UHFFFAOYSA-N
MW493.59 g/mol
LogP2.36
Rot. Bonds7

About 6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide

6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 167784135) has the molecular formula C25H27N5O4S and a molecular weight of 493.59 g/mol. Its IUPAC name is 6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID167784135
Molecular FormulaC25H27N5O4S
Molecular Weight493.59 g/mol
Exact Mass493.18
IUPAC Name6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)cc1
InChIInChI=1S/C25H27N5O4S/c1-2-30(21-6-4-3-5-7-21)35(33,34)22-11-8-19(9-12-22)25(32)29-16-14-28(15-17-29)23-13-10-20(18-27-23)24(26)31/h3-13,18H,2,14-17H2,1H3,(H2,26,31)
InChIKeyOVSROTWWNCWGAS-UHFFFAOYSA-N
XLogP2.36
TPSA116.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-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

Related Compounds

6-(4-acetylpiperazin-1-yl)-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 4816070
N-ethyl-N-phenyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 31565674
6-(4-benzoylpiperazin-1-yl)-N,N-diethylpyridine-3-sulfonamide
CID 4878483
N-ethyl-6-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 52694397
N-ethyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 2471505
1-[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]piperidine-4-carboxamide
CID 4816078
4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-ethyl-N-phenylbenzenesulfonamide
CID 26009023
4-(3,5-dimethylpiperidine-1-carbonyl)-N-ethyl-N-phenylbenzenesulfonamide
CID 17479841
N-ethyl-6-[4-(hydroxymethyl)piperidin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 60504570
ethyl 6-(4-benzoyl-1,4-diazepan-1-yl)pyridine-3-carboxylate
CID 36730820
N-ethyl-6-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 71867437
6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 71094905

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide (CID 167784135) is 6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide is CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)cc1.
What is the InChIKey of 6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is OVSROTWWNCWGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4S/c1-2-30(21-6-4-3-5-7-21)35(33,34)22-11-8-19(9-12-22)25(32)29-16-14-28(15-17-29)23-13-10-20(18-27-23)24(26)31/h3-13,18H,2,14-17H2,1H3,(H2,26,31).
What are the key properties of 6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide?
6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 493.59 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 167784135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).