N-[2-(4-benzoylphenoxy)-5-chlorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide

C32H23ClN2O3S — CID 4841709

IUPACN-[2-(4-benzoylphenoxy)-5-chlorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)Nc2cc(Cl)ccc2Oc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C32H23ClN2O3S/c1-21-9-16-26(17-10-21)39-32-27(8-5-19-34-32)31(37)35-28-20-24(33)13-18-29(28)38-25-14-11-23(12-15-25)30(36)22-6-3-2-4-7-22/h2-20H,1H3,(H,35,37)
InChIKeyOSJRRIHTKILURX-UHFFFAOYSA-N
MW551.07 g/mol
LogP8.47
Rot. Bonds8

About N-[2-(4-benzoylphenoxy)-5-chlorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide

N-[2-(4-benzoylphenoxy)-5-chlorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide (PubChem CID 4841709) has the molecular formula C32H23ClN2O3S and a molecular weight of 551.07 g/mol. Its IUPAC name is N-[2-(4-benzoylphenoxy)-5-chlorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzoylphenoxy)-5-chlorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
PubChem CID4841709
Molecular FormulaC32H23ClN2O3S
Molecular Weight551.07 g/mol
Exact Mass550.11
IUPAC NameN-[2-(4-benzoylphenoxy)-5-chlorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(=O)Nc2cc(Cl)ccc2Oc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C32H23ClN2O3S/c1-21-9-16-26(17-10-21)39-32-27(8-5-19-34-32)31(37)35-28-20-24(33)13-18-29(28)38-25-14-11-23(12-15-25)30(36)22-6-3-2-4-7-22/h2-20H,1H3,(H,35,37)
InChIKeyOSJRRIHTKILURX-UHFFFAOYSA-N
XLogP8.47
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.07
LogP ≤ 58.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 9097470
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide
CID 100657509
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
N-(3-chlorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 26086401
2-(4-bromophenyl)sulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 55330294
N-[3-(4-chloroanilino)sulfanyl-4-fluorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 156859919
2-benzoyl-N-(5-chloro-2-methoxyphenyl)benzamide
CID 16624498
5-acetamido-N-[5-chloro-2-(4-methylphenoxy)phenyl]-2-fluorobenzamide
CID 60567457
N-(5-methyl-2-pyridinyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 43019366
N-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide
CID 100513507
N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 4882766

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylphenoxy)-5-chlorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-(4-benzoylphenoxy)-5-chlorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide (CID 4841709) is N-[2-(4-benzoylphenoxy)-5-chlorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-benzoylphenoxy)-5-chlorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-benzoylphenoxy)-5-chlorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide is Cc1ccc(Sc2ncccc2C(=O)Nc2cc(Cl)ccc2Oc2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[2-(4-benzoylphenoxy)-5-chlorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide?
The InChIKey is OSJRRIHTKILURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23ClN2O3S/c1-21-9-16-26(17-10-21)39-32-27(8-5-19-34-32)31(37)35-28-20-24(33)13-18-29(28)38-25-14-11-23(12-15-25)30(36)22-6-3-2-4-7-22/h2-20H,1H3,(H,35,37).
What are the key properties of N-[2-(4-benzoylphenoxy)-5-chlorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide?
N-[2-(4-benzoylphenoxy)-5-chlorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide has a molecular weight of 551.07 g/mol, XLogP of 8.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoylphenoxy)-5-chlorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 4841709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).