N-(2,4-difluorophenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide

C19H16F2N2O2S — CID 20864343

IUPACN-(2,4-difluorophenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide
SMILESCCn1c(=O)cc(SCC(=O)Nc2ccc(F)cc2F)c2ccccc21
InChIInChI=1S/C19H16F2N2O2S/c1-2-23-16-6-4-3-5-13(16)17(10-19(23)25)26-11-18(24)22-15-8-7-12(20)9-14(15)21/h3-10H,2,11H2,1H3,(H,22,24)
InChIKeyNPZPYHSNJFMHSV-UHFFFAOYSA-N
MW374.41 g/mol
LogP4.03
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide

N-(2,4-difluorophenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide (PubChem CID 20864343) has the molecular formula C19H16F2N2O2S and a molecular weight of 374.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide
PubChem CID20864343
Molecular FormulaC19H16F2N2O2S
Molecular Weight374.41 g/mol
Exact Mass374.09
IUPAC NameN-(2,4-difluorophenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide
SMILESCCn1c(=O)cc(SCC(=O)Nc2ccc(F)cc2F)c2ccccc21
InChIInChI=1S/C19H16F2N2O2S/c1-2-23-16-6-4-3-5-13(16)17(10-19(23)25)26-11-18(24)22-15-8-7-12(20)9-14(15)21/h3-10H,2,11H2,1H3,(H,22,24)
InChIKeyNPZPYHSNJFMHSV-UHFFFAOYSA-N
XLogP4.03
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 20864344
N-(4-acetylphenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide
CID 22334574
N-(2,4-difluorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922404
N-(2,4-difluorophenyl)-2-[(5-oxo-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
CID 2493425
N-(2,4-difluorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide
CID 4608475
2-[(4-butyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 16517005
1-ethyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinolin-2-one
CID 20864364
N-(2,4-difluorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329888
N-(2,4-difluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
CID 20902519
4-chloro-N-[2-[3-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4171401
N-(2,5-difluorophenyl)-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
CID 7262704
N-(2,4-difluorophenyl)-2-[[4-[(4-methylphenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]sulfanyl]acetamide
CID 4855884

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide (CID 20864343) is N-(2,4-difluorophenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide is CCn1c(=O)cc(SCC(=O)Nc2ccc(F)cc2F)c2ccccc21.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide?
The InChIKey is NPZPYHSNJFMHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2S/c1-2-23-16-6-4-3-5-13(16)17(10-19(23)25)26-11-18(24)22-15-8-7-12(20)9-14(15)21/h3-10H,2,11H2,1H3,(H,22,24).
What are the key properties of N-(2,4-difluorophenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide?
N-(2,4-difluorophenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide has a molecular weight of 374.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(1-ethyl-2-oxoquinolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 20864343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).