N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide

C19H16Cl2N2O3S — CID 20861862

IUPACN-(5-chloro-2-methoxyphenyl)-2-(6-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1cc(=O)n(C)c2ccc(Cl)cc12
InChIInChI=1S/C19H16Cl2N2O3S/c1-23-15-5-3-11(20)7-13(15)17(9-19(23)25)27-10-18(24)22-14-8-12(21)4-6-16(14)26-2/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyRAMCHSVKYJZHFC-UHFFFAOYSA-N
MW423.32 g/mol
LogP4.58
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide

N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide (PubChem CID 20861862) has the molecular formula C19H16Cl2N2O3S and a molecular weight of 423.32 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(6-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide
PubChem CID20861862
Molecular FormulaC19H16Cl2N2O3S
Molecular Weight423.32 g/mol
Exact Mass422.03
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(6-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSc1cc(=O)n(C)c2ccc(Cl)cc12
InChIInChI=1S/C19H16Cl2N2O3S/c1-23-15-5-3-11(20)7-13(15)17(9-19(23)25)27-10-18(24)22-14-8-12(21)4-6-16(14)26-2/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyRAMCHSVKYJZHFC-UHFFFAOYSA-N
XLogP4.58
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.32
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide (CID 20861862) is N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide is COc1ccc(Cl)cc1NC(=O)CSc1cc(=O)n(C)c2ccc(Cl)cc12.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide?
The InChIKey is RAMCHSVKYJZHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3S/c1-23-15-5-3-11(20)7-13(15)17(9-19(23)25)27-10-18(24)22-14-8-12(21)4-6-16(14)26-2/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide?
N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide has a molecular weight of 423.32 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(6-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 20861862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).