N-[4-(3-methylphenoxy)phenyl]-2-methylsulfanylpyridine-3-carboxamide

C20H18N2O2S — CID 2511417

IUPACN-[4-(3-methylphenoxy)phenyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc(Oc2cccc(C)c2)cc1
InChIInChI=1S/C20H18N2O2S/c1-14-5-3-6-17(13-14)24-16-10-8-15(9-11-16)22-19(23)18-7-4-12-21-20(18)25-2/h3-13H,1-2H3,(H,22,23)
InChIKeyZZIHMXLSUBQNRJ-UHFFFAOYSA-N
MW350.44 g/mol
LogP5.16
Rot. Bonds5

About N-[4-(3-methylphenoxy)phenyl]-2-methylsulfanylpyridine-3-carboxamide

N-[4-(3-methylphenoxy)phenyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 2511417) has the molecular formula C20H18N2O2S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[4-(3-methylphenoxy)phenyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methylphenoxy)phenyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID2511417
Molecular FormulaC20H18N2O2S
Molecular Weight350.44 g/mol
Exact Mass350.11
IUPAC NameN-[4-(3-methylphenoxy)phenyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc(Oc2cccc(C)c2)cc1
InChIInChI=1S/C20H18N2O2S/c1-14-5-3-6-17(13-14)24-16-10-8-15(9-11-16)22-19(23)18-7-4-12-21-20(18)25-2/h3-13H,1-2H3,(H,22,23)
InChIKeyZZIHMXLSUBQNRJ-UHFFFAOYSA-N
XLogP5.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 2111300
2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 2446896
2-methyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862622
2-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 52577778
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 2114068
N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 926519
N-(3-methylphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513585
N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 46550282
N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650962
2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
CID 43171833
N-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 7925023
N-[3-[(3-fluorophenoxy)methyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 38614359

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylphenoxy)phenyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[4-(3-methylphenoxy)phenyl]-2-methylsulfanylpyridine-3-carboxamide (CID 2511417) is N-[4-(3-methylphenoxy)phenyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(3-methylphenoxy)phenyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(3-methylphenoxy)phenyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1ccc(Oc2cccc(C)c2)cc1.
What is the InChIKey of N-[4-(3-methylphenoxy)phenyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is ZZIHMXLSUBQNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S/c1-14-5-3-6-17(13-14)24-16-10-8-15(9-11-16)22-19(23)18-7-4-12-21-20(18)25-2/h3-13H,1-2H3,(H,22,23).
What are the key properties of N-[4-(3-methylphenoxy)phenyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[4-(3-methylphenoxy)phenyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylphenoxy)phenyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2511417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).