2-methyl-N-quinolin-6-yl-5-sulfanylbenzamide

C17H14N2OS — CID 107028520

IUPAC2-methyl-N-quinolin-6-yl-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C17H14N2OS/c1-11-4-6-14(21)10-15(11)17(20)19-13-5-7-16-12(9-13)3-2-8-18-16/h2-10,21H,1H3,(H,19,20)
InChIKeyKRLNBDVJLZKBMS-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.08
Rot. Bonds2

About 2-methyl-N-quinolin-6-yl-5-sulfanylbenzamide

2-methyl-N-quinolin-6-yl-5-sulfanylbenzamide (PubChem CID 107028520) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-methyl-N-quinolin-6-yl-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-methyl-N-quinolin-6-yl-5-sulfanylbenzamide
PubChem CID107028520
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name2-methyl-N-quinolin-6-yl-5-sulfanylbenzamide
SMILESCc1ccc(S)cc1C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C17H14N2OS/c1-11-4-6-14(21)10-15(11)17(20)19-13-5-7-16-12(9-13)3-2-8-18-16/h2-10,21H,1H3,(H,19,20)
InChIKeyKRLNBDVJLZKBMS-UHFFFAOYSA-N
XLogP4.08
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-quinolin-6-yl-5-sulfanylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-quinolin-6-yl-3-sulfanylbenzamide
CID 107028522
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-quinolin-6-ylbenzamide
CID 60556006
N-quinolin-6-ylbenzamide
CID 833617
4-chloro-2-hydroxy-N-quinolin-6-ylbenzamide
CID 60783622
2-ethylsulfanyl-N-quinolin-6-ylbenzamide
CID 166190376
2-(2-methoxyethoxy)-N-quinolin-6-ylpyridine-3-carboxamide
CID 60573798
3-chloro-N-quinolin-6-ylpyridine-4-carboxamide
CID 66484536
N-(4-iodophenyl)-2-methyl-5-sulfanylbenzamide
CID 107022114
2-(methylamino)-N-quinolin-6-ylpyridine-4-carboxamide
CID 62640761
N-(3-chlorophenyl)-6-methylquinoline-7-carboxamide
CID 142343847
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
2-chloro-N-quinolin-6-ylacetamide
CID 3144388

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-quinolin-6-yl-5-sulfanylbenzamide?
The IUPAC name of 2-methyl-N-quinolin-6-yl-5-sulfanylbenzamide (CID 107028520) is 2-methyl-N-quinolin-6-yl-5-sulfanylbenzamide.
What is the SMILES notation for 2-methyl-N-quinolin-6-yl-5-sulfanylbenzamide?
The canonical SMILES for 2-methyl-N-quinolin-6-yl-5-sulfanylbenzamide is Cc1ccc(S)cc1C(=O)Nc1ccc2ncccc2c1.
What is the InChIKey of 2-methyl-N-quinolin-6-yl-5-sulfanylbenzamide?
The InChIKey is KRLNBDVJLZKBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-11-4-6-14(21)10-15(11)17(20)19-13-5-7-16-12(9-13)3-2-8-18-16/h2-10,21H,1H3,(H,19,20).
What are the key properties of 2-methyl-N-quinolin-6-yl-5-sulfanylbenzamide?
2-methyl-N-quinolin-6-yl-5-sulfanylbenzamide has a molecular weight of 294.38 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-quinolin-6-yl-5-sulfanylbenzamide is sourced from PubChem (CID 107028520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).