2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

C19H14ClF3N2O2S — CID 20856523

IUPAC2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCn1c(=O)cc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc21
InChIInChI=1S/C19H14ClF3N2O2S/c1-25-15-8-12(20)5-6-14(15)16(9-18(25)27)28-10-17(26)24-13-4-2-3-11(7-13)19(21,22)23/h2-9H,10H2,1H3,(H,24,26)
InChIKeyPFKZZTDNSJMVAD-UHFFFAOYSA-N
MW426.85 g/mol
LogP4.94
Rot. Bonds4

About 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 20856523) has the molecular formula C19H14ClF3N2O2S and a molecular weight of 426.85 g/mol. Its IUPAC name is 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID20856523
Molecular FormulaC19H14ClF3N2O2S
Molecular Weight426.85 g/mol
Exact Mass426.04
IUPAC Name2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCn1c(=O)cc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc21
InChIInChI=1S/C19H14ClF3N2O2S/c1-25-15-8-12(20)5-6-14(15)16(9-18(25)27)28-10-17(26)24-13-4-2-3-11(7-13)19(21,22)23/h2-9H,10H2,1H3,(H,24,26)
InChIKeyPFKZZTDNSJMVAD-UHFFFAOYSA-N
XLogP4.94
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.85
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylindol-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3715457
2-[7-chloro-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2474670
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-cyclopropylacetamide
CID 20856556
2,4-dichloro-N-[(1R)-1-[4-methyl-5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 2196594
2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 42015620
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 94848227
2-[5-[2-(5-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4668394
2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
3,4-dichloro-N-[(1R)-1-[4-methyl-5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 126360894
2-chloro-N-[(1R)-1-[4-methyl-5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 126350799
4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]butanamide
CID 20862014
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20902590

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (CID 20856523) is 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is Cn1c(=O)cc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc21.
What is the InChIKey of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PFKZZTDNSJMVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O2S/c1-25-15-8-12(20)5-6-14(15)16(9-18(25)27)28-10-17(26)24-13-4-2-3-11(7-13)19(21,22)23/h2-9H,10H2,1H3,(H,24,26).
What are the key properties of 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 426.85 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 20856523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).