2-hydroxy-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide

C20H18N2O3S — CID 42054101

IUPAC2-hydroxy-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(SCc3cccnc3)cc2)c(O)c1
InChIInChI=1S/C20H18N2O3S/c1-25-16-6-9-18(19(23)11-16)20(24)22-15-4-7-17(8-5-15)26-13-14-3-2-10-21-12-14/h2-12,23H,13H2,1H3,(H,22,24)
InChIKeyUTKNGKNKKYLMSI-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.34
Rot. Bonds6

About 2-hydroxy-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide

2-hydroxy-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide (PubChem CID 42054101) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
PubChem CID42054101
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name2-hydroxy-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(SCc3cccnc3)cc2)c(O)c1
InChIInChI=1S/C20H18N2O3S/c1-25-16-6-9-18(19(23)11-16)20(24)22-15-4-7-17(8-5-15)26-13-14-3-2-10-21-12-14/h2-12,23H,13H2,1H3,(H,22,24)
InChIKeyUTKNGKNKKYLMSI-UHFFFAOYSA-N
XLogP4.34
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 34425101
2-(4-ethoxyphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 46669161
2-(4-ethylphenoxy)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]acetamide
CID 55465757
5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide
CID 24644970
2-hydroxy-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 27167303
2-hydroxy-4-methoxy-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 51097476
3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 34425823
2-hydroxy-4-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 38401851
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-4-methoxybenzamide
CID 61221954
5,7-dimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39985596
(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 78973407

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide (CID 42054101) is 2-hydroxy-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(SCc3cccnc3)cc2)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide?
The InChIKey is UTKNGKNKKYLMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-25-16-6-9-18(19(23)11-16)20(24)22-15-4-7-17(8-5-15)26-13-14-3-2-10-21-12-14/h2-12,23H,13H2,1H3,(H,22,24).
What are the key properties of 2-hydroxy-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide?
2-hydroxy-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide has a molecular weight of 366.44 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 42054101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).