2-(naphthalen-2-ylsulfonylamino)-N-(1-oxo-3-phenylpropan-2-yl)pyridine-3-carboxamide

C25H21N3O4S — CID 22988100

IUPAC2-(naphthalen-2-ylsulfonylamino)-N-(1-oxo-3-phenylpropan-2-yl)pyridine-3-carboxamide
SMILESO=CC(Cc1ccccc1)NC(=O)c1cccnc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C25H21N3O4S/c29-17-21(15-18-7-2-1-3-8-18)27-25(30)23-11-6-14-26-24(23)28-33(31,32)22-13-12-19-9-4-5-10-20(19)16-22/h1-14,16-17,21H,15H2,(H,26,28)(H,27,30)
InChIKeyMBBSWROVDKIONG-UHFFFAOYSA-N
MW459.53 g/mol
LogP3.58
Rot. Bonds8

About 2-(naphthalen-2-ylsulfonylamino)-N-(1-oxo-3-phenylpropan-2-yl)pyridine-3-carboxamide

2-(naphthalen-2-ylsulfonylamino)-N-(1-oxo-3-phenylpropan-2-yl)pyridine-3-carboxamide (PubChem CID 22988100) has the molecular formula C25H21N3O4S and a molecular weight of 459.53 g/mol. Its IUPAC name is 2-(naphthalen-2-ylsulfonylamino)-N-(1-oxo-3-phenylpropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(naphthalen-2-ylsulfonylamino)-N-(1-oxo-3-phenylpropan-2-yl)pyridine-3-carboxamide
PubChem CID22988100
Molecular FormulaC25H21N3O4S
Molecular Weight459.53 g/mol
Exact Mass459.13
IUPAC Name2-(naphthalen-2-ylsulfonylamino)-N-(1-oxo-3-phenylpropan-2-yl)pyridine-3-carboxamide
SMILESO=CC(Cc1ccccc1)NC(=O)c1cccnc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C25H21N3O4S/c29-17-21(15-18-7-2-1-3-8-18)27-25(30)23-11-6-14-26-24(23)28-33(31,32)22-13-12-19-9-4-5-10-20(19)16-22/h1-14,16-17,21H,15H2,(H,26,28)(H,27,30)
InChIKeyMBBSWROVDKIONG-UHFFFAOYSA-N
XLogP3.58
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(naphthalen-2-ylsulfonylamino)-N-(1-oxo-3-phenylpropan-2-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

2-methyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-5-(pyridin-3-ylsulfonylamino)benzamide
CID 20666648
N-[(2S)-1-oxo-3-phenylpropan-2-yl]-2-(2-pyridin-4-ylethenyl)pyridine-3-carboxamide
CID 91158500
N-[3-(trifluoromethyl)-2-pyridinyl]naphthalene-2-sulfonamide
CID 167877527
3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide
CID 173276331
5-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)pyrimidine-4-carboxamide
CID 21364258
2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2219459
N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 1289488
N'-naphthalen-2-ylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarbohydrazide
CID 87594477
N-[(2S)-1-oxo-3-phenylpropan-2-yl]-4-pyridin-2-ylbenzamide
CID 20666700
1-methylsulfonyl-N-[(2S)-1-oxo-3-phenylpropan-2-yl]indole-2-carboxamide
CID 86756608
N-[(3S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-(naphthalen-2-ylsulfonylamino)benzamide
CID 70055276
N-(1-oxo-3-phenylpropan-2-yl)-2-(4-pyridin-3-ylphenyl)quinoline-4-carboxamide
CID 18694113

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylsulfonylamino)-N-(1-oxo-3-phenylpropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-(naphthalen-2-ylsulfonylamino)-N-(1-oxo-3-phenylpropan-2-yl)pyridine-3-carboxamide (CID 22988100) is 2-(naphthalen-2-ylsulfonylamino)-N-(1-oxo-3-phenylpropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(naphthalen-2-ylsulfonylamino)-N-(1-oxo-3-phenylpropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-(naphthalen-2-ylsulfonylamino)-N-(1-oxo-3-phenylpropan-2-yl)pyridine-3-carboxamide is O=CC(Cc1ccccc1)NC(=O)c1cccnc1NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-(naphthalen-2-ylsulfonylamino)-N-(1-oxo-3-phenylpropan-2-yl)pyridine-3-carboxamide?
The InChIKey is MBBSWROVDKIONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O4S/c29-17-21(15-18-7-2-1-3-8-18)27-25(30)23-11-6-14-26-24(23)28-33(31,32)22-13-12-19-9-4-5-10-20(19)16-22/h1-14,16-17,21H,15H2,(H,26,28)(H,27,30).
What are the key properties of 2-(naphthalen-2-ylsulfonylamino)-N-(1-oxo-3-phenylpropan-2-yl)pyridine-3-carboxamide?
2-(naphthalen-2-ylsulfonylamino)-N-(1-oxo-3-phenylpropan-2-yl)pyridine-3-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylsulfonylamino)-N-(1-oxo-3-phenylpropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 22988100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).