N-(4-hydroxy-2-methylpentyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide

C19H24N2O2S — CID 111448039

IUPACN-(4-hydroxy-2-methylpentyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide
SMILESCC(O)CC(C)CNC(=O)c1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C19H24N2O2S/c1-14(10-15(2)22)11-21-19(23)17-5-7-18(8-6-17)24-13-16-4-3-9-20-12-16/h3-9,12,14-15,22H,10-11,13H2,1-2H3,(H,21,23)
InChIKeyOUDSYQQXWPJFRB-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.51
Rot. Bonds8

About N-(4-hydroxy-2-methylpentyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide

N-(4-hydroxy-2-methylpentyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide (PubChem CID 111448039) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylpentyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylpentyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide
PubChem CID111448039
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-(4-hydroxy-2-methylpentyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide
SMILESCC(O)CC(C)CNC(=O)c1ccc(SCc2cccnc2)cc1
InChIInChI=1S/C19H24N2O2S/c1-14(10-15(2)22)11-21-19(23)17-5-7-18(8-6-17)24-13-16-4-3-9-20-12-16/h3-9,12,14-15,22H,10-11,13H2,1-2H3,(H,21,23)
InChIKeyOUDSYQQXWPJFRB-UHFFFAOYSA-N
XLogP3.51
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzylsulfanyl-N-(4-hydroxy-2-methylpentyl)benzamide
CID 111447030
N-(4-hydroxy-2-methylpentyl)-2-pyridin-3-ylacetamide
CID 111447112
N-(3-amino-2-methylpropyl)-4-benzylsulfanylbenzamide;hydrochloride
CID 119995528
3-chloro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 62727163
N-[1-(2,6-difluorophenyl)propan-2-yl]-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 55877942
(2R)-2-amino-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]propanamide
CID 78973407
4-propan-2-ylsulfanyl-N-(pyridin-3-ylmethyl)benzamide
CID 47265352
4-(pyridin-3-ylmethylsulfanyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 39718608
9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide
CID 24620063
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 55743207
N-(3-bromophenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 38885627

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylpentyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(4-hydroxy-2-methylpentyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide (CID 111448039) is N-(4-hydroxy-2-methylpentyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(4-hydroxy-2-methylpentyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(4-hydroxy-2-methylpentyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide is CC(O)CC(C)CNC(=O)c1ccc(SCc2cccnc2)cc1.
What is the InChIKey of N-(4-hydroxy-2-methylpentyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide?
The InChIKey is OUDSYQQXWPJFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14(10-15(2)22)11-21-19(23)17-5-7-18(8-6-17)24-13-16-4-3-9-20-12-16/h3-9,12,14-15,22H,10-11,13H2,1-2H3,(H,21,23).
What are the key properties of N-(4-hydroxy-2-methylpentyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide?
N-(4-hydroxy-2-methylpentyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide has a molecular weight of 344.48 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylpentyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 111448039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).