6-[2-[(4-chlorobenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide

C21H18ClN3O2S — CID 50843835

IUPAC6-[2-[(4-chlorobenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide
SMILESO=C(NCCSc1ccc(C(=O)Nc2ccccc2)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O2S/c22-17-9-6-15(7-10-17)20(26)23-12-13-28-19-11-8-16(14-24-19)21(27)25-18-4-2-1-3-5-18/h1-11,14H,12-13H2,(H,23,26)(H,25,27)
InChIKeyCWKWQNPSXMLJJQ-UHFFFAOYSA-N
MW411.91 g/mol
LogP4.51
Rot. Bonds7

About 6-[2-[(4-chlorobenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide

6-[2-[(4-chlorobenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide (PubChem CID 50843835) has the molecular formula C21H18ClN3O2S and a molecular weight of 411.91 g/mol. Its IUPAC name is 6-[2-[(4-chlorobenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-[(4-chlorobenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide
PubChem CID50843835
Molecular FormulaC21H18ClN3O2S
Molecular Weight411.91 g/mol
Exact Mass411.08
IUPAC Name6-[2-[(4-chlorobenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide
SMILESO=C(NCCSc1ccc(C(=O)Nc2ccccc2)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O2S/c22-17-9-6-15(7-10-17)20(26)23-12-13-28-19-11-8-16(14-24-19)21(27)25-18-4-2-1-3-5-18/h1-11,14H,12-13H2,(H,23,26)(H,25,27)
InChIKeyCWKWQNPSXMLJJQ-UHFFFAOYSA-N
XLogP4.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[(4-ethoxybenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide
CID 50843863
4-chloro-N-(3-pyridin-2-ylsulfanylpropyl)benzamide
CID 22070190
2-N,5-N-bis(2-phenylsulfanylethyl)pyridine-2,5-dicarboxamide
CID 2174445
N-(4-fluorophenyl)-6-(2-phenoxyethylsulfanyl)pyridine-3-carboxamide
CID 46896585
N-(4-anilinophenyl)-4-chlorobenzamide
CID 681104
N-[2-[(4-chlorobenzoyl)amino]ethyl]-6-phenoxypyridine-3-carboxamide
CID 78888100
N-(4-chlorophenyl)-6-(phenoxymethyl)pyridine-3-carboxamide
CID 58533794
N-(4-chlorophenyl)benzamide;hydrochloride
CID 139912610
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158292
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1100705
6-(3,5-dichloroanilino)-N-phenylpyridine-3-carboxamide
CID 109162127
N-(4-chlorophenyl)-2-(3-phenylpropylamino)pyrimidine-5-carboxamide
CID 109262706

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(4-chlorobenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide?
The IUPAC name of 6-[2-[(4-chlorobenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide (CID 50843835) is 6-[2-[(4-chlorobenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 6-[2-[(4-chlorobenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 6-[2-[(4-chlorobenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide is O=C(NCCSc1ccc(C(=O)Nc2ccccc2)cn1)c1ccc(Cl)cc1.
What is the InChIKey of 6-[2-[(4-chlorobenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide?
The InChIKey is CWKWQNPSXMLJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2S/c22-17-9-6-15(7-10-17)20(26)23-12-13-28-19-11-8-16(14-24-19)21(27)25-18-4-2-1-3-5-18/h1-11,14H,12-13H2,(H,23,26)(H,25,27).
What are the key properties of 6-[2-[(4-chlorobenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide?
6-[2-[(4-chlorobenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide has a molecular weight of 411.91 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(4-chlorobenzoyl)amino]ethylsulfanyl]-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 50843835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).