4-methylsulfinyl-N-quinolin-5-ylbenzamide

C17H14N2O2S — CID 51182481

IUPAC4-methylsulfinyl-N-quinolin-5-ylbenzamide
SMILESCS(=O)c1ccc(C(=O)Nc2cccc3ncccc23)cc1
InChIInChI=1S/C17H14N2O2S/c1-22(21)13-9-7-12(8-10-13)17(20)19-16-6-2-5-15-14(16)4-3-11-18-15/h2-11H,1H3,(H,19,20)
InChIKeyYGVKLLKEIGJMII-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.22
Rot. Bonds3

About 4-methylsulfinyl-N-quinolin-5-ylbenzamide

4-methylsulfinyl-N-quinolin-5-ylbenzamide (PubChem CID 51182481) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-methylsulfinyl-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name4-methylsulfinyl-N-quinolin-5-ylbenzamide
PubChem CID51182481
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name4-methylsulfinyl-N-quinolin-5-ylbenzamide
SMILESCS(=O)c1ccc(C(=O)Nc2cccc3ncccc23)cc1
InChIInChI=1S/C17H14N2O2S/c1-22(21)13-9-7-12(8-10-13)17(20)19-16-6-2-5-15-14(16)4-3-11-18-15/h2-11H,1H3,(H,19,20)
InChIKeyYGVKLLKEIGJMII-UHFFFAOYSA-N
XLogP3.22
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methylsulfinyl-N-quinolin-5-ylbenzamide 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

4-(methylamino)-N-quinolin-5-ylbenzamide
CID 62187273
4-(bromomethyl)-N-quinolin-5-ylbenzamide
CID 102850797
4-(diethylamino)-N-quinolin-5-ylbenzamide
CID 112767915
2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide
CID 51205597
4-butoxy-N-quinolin-5-ylbenzamide
CID 3982301
2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
CID 2782162
3-chloro-N-quinolin-5-ylbenzamide
CID 5127132
N-quinolin-5-ylpyridine-2-carboxamide
CID 3985423
2-bromo-N-quinolin-5-ylpyridine-4-carboxamide
CID 103751909
CID 73213052
CID 73213052
4-bromo-3,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 26706123
N-quinolin-5-yl-1H-pyrazole-5-carboxamide
CID 47177311

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfinyl-N-quinolin-5-ylbenzamide?
The IUPAC name of 4-methylsulfinyl-N-quinolin-5-ylbenzamide (CID 51182481) is 4-methylsulfinyl-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 4-methylsulfinyl-N-quinolin-5-ylbenzamide?
The canonical SMILES for 4-methylsulfinyl-N-quinolin-5-ylbenzamide is CS(=O)c1ccc(C(=O)Nc2cccc3ncccc23)cc1.
What is the InChIKey of 4-methylsulfinyl-N-quinolin-5-ylbenzamide?
The InChIKey is YGVKLLKEIGJMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-22(21)13-9-7-12(8-10-13)17(20)19-16-6-2-5-15-14(16)4-3-11-18-15/h2-11H,1H3,(H,19,20).
What are the key properties of 4-methylsulfinyl-N-quinolin-5-ylbenzamide?
4-methylsulfinyl-N-quinolin-5-ylbenzamide has a molecular weight of 310.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfinyl-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 51182481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).