2-(4-methoxyphenyl)sulfanyl-6-methyl-N-quinolin-8-ylbenzamide

C24H20N2O2S — CID 122220942

IUPAC2-(4-methoxyphenyl)sulfanyl-6-methyl-N-quinolin-8-ylbenzamide
SMILESCOc1ccc(Sc2cccc(C)c2C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C24H20N2O2S/c1-16-6-3-10-21(29-19-13-11-18(28-2)12-14-19)22(16)24(27)26-20-9-4-7-17-8-5-15-25-23(17)20/h3-15H,1-2H3,(H,26,27)
InChIKeyCPCDXWDDDUWCRO-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.96
Rot. Bonds5

About 2-(4-methoxyphenyl)sulfanyl-6-methyl-N-quinolin-8-ylbenzamide

2-(4-methoxyphenyl)sulfanyl-6-methyl-N-quinolin-8-ylbenzamide (PubChem CID 122220942) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-6-methyl-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-6-methyl-N-quinolin-8-ylbenzamide
PubChem CID122220942
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC Name2-(4-methoxyphenyl)sulfanyl-6-methyl-N-quinolin-8-ylbenzamide
SMILESCOc1ccc(Sc2cccc(C)c2C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C24H20N2O2S/c1-16-6-3-10-21(29-19-13-11-18(28-2)12-14-19)22(16)24(27)26-20-9-4-7-17-8-5-15-25-23(17)20/h3-15H,1-2H3,(H,26,27)
InChIKeyCPCDXWDDDUWCRO-UHFFFAOYSA-N
XLogP5.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide
CID 139200312
8-(4-methoxyphenyl)sulfanylquinoline
CID 177466194
2-methyl-N-quinolin-8-ylnaphthalene-1-carboxamide
CID 132837940
2-N-(4-methoxyphenyl)-4-N-quinolin-8-ylpyridine-2,4-dicarboxamide
CID 109093095
4-(4-methoxyanilino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109221716
4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 952487
2-(4-methoxyanilino)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109178089
2-methyl-6-(4-methyl-N-[3-methyl-2-(quinolin-8-ylcarbamoyl)phenyl]anilino)-N-quinolin-8-ylbenzamide
CID 175917421
N-(5-chloroquinolin-8-yl)-2-[(4-methoxyphenyl)methyl]-6-methylbenzamide
CID 122390002
3-methoxy-N-quinolin-8-ylnaphthalene-2-carboxamide
CID 952605
5-methyl-N-quinolin-8-ylthiophene-3-carboxamide
CID 166451949
4-methoxy-2-methyl-N-quinolin-8-yl-1H-indole-3-carboxamide
CID 110863455

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-6-methyl-N-quinolin-8-ylbenzamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-6-methyl-N-quinolin-8-ylbenzamide (CID 122220942) is 2-(4-methoxyphenyl)sulfanyl-6-methyl-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-6-methyl-N-quinolin-8-ylbenzamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-6-methyl-N-quinolin-8-ylbenzamide is COc1ccc(Sc2cccc(C)c2C(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-6-methyl-N-quinolin-8-ylbenzamide?
The InChIKey is CPCDXWDDDUWCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c1-16-6-3-10-21(29-19-13-11-18(28-2)12-14-19)22(16)24(27)26-20-9-4-7-17-8-5-15-25-23(17)20/h3-15H,1-2H3,(H,26,27).
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-6-methyl-N-quinolin-8-ylbenzamide?
2-(4-methoxyphenyl)sulfanyl-6-methyl-N-quinolin-8-ylbenzamide has a molecular weight of 400.50 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-6-methyl-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 122220942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).