N-[(8-sulfanylquinolin-3-yl)methyl]benzamide

C17H14N2OS — CID 159965850

IUPACN-[(8-sulfanylquinolin-3-yl)methyl]benzamide
SMILESO=C(NCc1cnc2c(S)cccc2c1)c1ccccc1
InChIInChI=1S/C17H14N2OS/c20-17(13-5-2-1-3-6-13)19-11-12-9-14-7-4-8-15(21)16(14)18-10-12/h1-10,21H,11H2,(H,19,20)
InChIKeyODXNPTIMHSDMSP-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.45
Rot. Bonds3

About N-[(8-sulfanylquinolin-3-yl)methyl]benzamide

N-[(8-sulfanylquinolin-3-yl)methyl]benzamide (PubChem CID 159965850) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[(8-sulfanylquinolin-3-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(8-sulfanylquinolin-3-yl)methyl]benzamide
PubChem CID159965850
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC NameN-[(8-sulfanylquinolin-3-yl)methyl]benzamide
SMILESO=C(NCc1cnc2c(S)cccc2c1)c1ccccc1
InChIInChI=1S/C17H14N2OS/c20-17(13-5-2-1-3-6-13)19-11-12-9-14-7-4-8-15(21)16(14)18-10-12/h1-10,21H,11H2,(H,19,20)
InChIKeyODXNPTIMHSDMSP-UHFFFAOYSA-N
XLogP3.45
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-8-sulfanylquinoline-3-carboxamide
CID 71042979
N-(3-phenylpropyl)-8-sulfanylquinoline-3-carboxamide
CID 160735019
8-sulfanyl-N-(thiophen-2-ylmethyl)quinoline-3-carboxamide
CID 126609807
3-hydroxy-N-(quinolin-3-ylmethyl)benzamide
CID 110472397
N-(naphthalen-2-ylmethyl)benzamide
CID 47161333
2,3-dimethyl-N-(quinolin-3-ylmethyl)quinoxaline-6-carboxamide
CID 110745511
5-[[(3-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099820
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
N-[(2-aminoquinazolin-7-yl)methyl]benzamide
CID 172623023
N-(naphthalen-1-ylmethyl)-3-sulfanylbenzamide
CID 107028284
2-ethyl-N-(quinolin-3-ylmethyl)butanamide
CID 110733756
N-benzylquinazoline-6-carboxamide
CID 141061658

Frequently Asked Questions

What is the IUPAC name of N-[(8-sulfanylquinolin-3-yl)methyl]benzamide?
The IUPAC name of N-[(8-sulfanylquinolin-3-yl)methyl]benzamide (CID 159965850) is N-[(8-sulfanylquinolin-3-yl)methyl]benzamide.
What is the SMILES notation for N-[(8-sulfanylquinolin-3-yl)methyl]benzamide?
The canonical SMILES for N-[(8-sulfanylquinolin-3-yl)methyl]benzamide is O=C(NCc1cnc2c(S)cccc2c1)c1ccccc1.
What is the InChIKey of N-[(8-sulfanylquinolin-3-yl)methyl]benzamide?
The InChIKey is ODXNPTIMHSDMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c20-17(13-5-2-1-3-6-13)19-11-12-9-14-7-4-8-15(21)16(14)18-10-12/h1-10,21H,11H2,(H,19,20).
What are the key properties of N-[(8-sulfanylquinolin-3-yl)methyl]benzamide?
N-[(8-sulfanylquinolin-3-yl)methyl]benzamide has a molecular weight of 294.38 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-sulfanylquinolin-3-yl)methyl]benzamide is sourced from PubChem (CID 159965850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).