4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide

C24H23N5O4S — CID 55729309

IUPAC4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCNc3ncccc3C#N)cc2)cc1
InChIInChI=1S/C24H23N5O4S/c1-17(30)19-8-10-22(11-9-19)34(32,33)29-16-18-4-6-20(7-5-18)24(31)28-14-13-27-23-21(15-25)3-2-12-26-23/h2-12,29H,13-14,16H2,1H3,(H,26,27)(H,28,31)
InChIKeyNKAIAUUKKXBKDF-UHFFFAOYSA-N
MW477.55 g/mol
LogP2.48
Rot. Bonds10

About 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide (PubChem CID 55729309) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
PubChem CID55729309
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC Name4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCNc3ncccc3C#N)cc2)cc1
InChIInChI=1S/C24H23N5O4S/c1-17(30)19-8-10-22(11-9-19)34(32,33)29-16-18-4-6-20(7-5-18)24(31)28-14-13-27-23-21(15-25)3-2-12-26-23/h2-12,29H,13-14,16H2,1H3,(H,26,27)(H,28,31)
InChIKeyNKAIAUUKKXBKDF-UHFFFAOYSA-N
XLogP2.48
TPSA141.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]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

N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 55729837
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 24672701
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-5-(methylsulfamoyl)benzamide
CID 55729345
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(8-methylquinolin-5-yl)benzamide
CID 38267137
5-(benzenesulfonylmethyl)-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]furan-2-carboxamide
CID 55727924
N-(2-cyanophenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060998
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-2,6-difluorobenzamide
CID 60556332
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
CID 55728144
N-[2-[2-[(3-cyano-2-pyridinyl)amino]ethylamino]-2-oxoethyl]-4-phenylbenzamide
CID 55727986
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
CID 46443949
N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109059702

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide?
The IUPAC name of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide (CID 55729309) is 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide?
The canonical SMILES for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide is CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCNc3ncccc3C#N)cc2)cc1.
What is the InChIKey of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide?
The InChIKey is NKAIAUUKKXBKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-17(30)19-8-10-22(11-9-19)34(32,33)29-16-18-4-6-20(7-5-18)24(31)28-14-13-27-23-21(15-25)3-2-12-26-23/h2-12,29H,13-14,16H2,1H3,(H,26,27)(H,28,31).
What are the key properties of 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide?
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide has a molecular weight of 477.55 g/mol, XLogP of 2.48, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide is sourced from PubChem (CID 55729309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).