2-ethylsulfanyl-N-quinolin-6-ylbenzamide

C18H16N2OS — CID 166190376

IUPAC2-ethylsulfanyl-N-quinolin-6-ylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C18H16N2OS/c1-2-22-17-8-4-3-7-15(17)18(21)20-14-9-10-16-13(12-14)6-5-11-19-16/h3-12H,2H2,1H3,(H,20,21)
InChIKeyWYETUZLQELLWEA-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.60
Rot. Bonds4

About 2-ethylsulfanyl-N-quinolin-6-ylbenzamide

2-ethylsulfanyl-N-quinolin-6-ylbenzamide (PubChem CID 166190376) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-quinolin-6-ylbenzamide.

Molecular Properties

Compound Name2-ethylsulfanyl-N-quinolin-6-ylbenzamide
PubChem CID166190376
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name2-ethylsulfanyl-N-quinolin-6-ylbenzamide
SMILESCCSc1ccccc1C(=O)Nc1ccc2ncccc2c1
InChIInChI=1S/C18H16N2OS/c1-2-22-17-8-4-3-7-15(17)18(21)20-14-9-10-16-13(12-14)6-5-11-19-16/h3-12H,2H2,1H3,(H,20,21)
InChIKeyWYETUZLQELLWEA-UHFFFAOYSA-N
XLogP4.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide
CID 23093954
2-(2-methoxyethoxy)-N-quinolin-6-ylpyridine-3-carboxamide
CID 60573798
N-quinolin-6-ylbenzamide
CID 833617
2-methyl-N-quinolin-6-yl-5-sulfanylbenzamide
CID 107028520
N-(3-chlorophenyl)-2-ethylsulfanylbenzamide
CID 4631179
N-[4-(dimethylamino)phenyl]-2-ethylsulfanylbenzamide
CID 4631711
N-(3-chloro-4-methylphenyl)-2-ethylsulfanylbenzamide
CID 4631406
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide
CID 60555097
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
4-chloro-2-hydroxy-N-quinolin-6-ylbenzamide
CID 60783622
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-quinoxalin-6-ylbenzamide
CID 112845760
2-ethylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 24624741

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-quinolin-6-ylbenzamide?
The IUPAC name of 2-ethylsulfanyl-N-quinolin-6-ylbenzamide (CID 166190376) is 2-ethylsulfanyl-N-quinolin-6-ylbenzamide.
What is the SMILES notation for 2-ethylsulfanyl-N-quinolin-6-ylbenzamide?
The canonical SMILES for 2-ethylsulfanyl-N-quinolin-6-ylbenzamide is CCSc1ccccc1C(=O)Nc1ccc2ncccc2c1.
What is the InChIKey of 2-ethylsulfanyl-N-quinolin-6-ylbenzamide?
The InChIKey is WYETUZLQELLWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-2-22-17-8-4-3-7-15(17)18(21)20-14-9-10-16-13(12-14)6-5-11-19-16/h3-12H,2H2,1H3,(H,20,21).
What are the key properties of 2-ethylsulfanyl-N-quinolin-6-ylbenzamide?
2-ethylsulfanyl-N-quinolin-6-ylbenzamide has a molecular weight of 308.41 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-quinolin-6-ylbenzamide is sourced from PubChem (CID 166190376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).