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

C19H15F3N2O2S — CID 126458207

IUPAC2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCn1c(=O)cc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C19H15F3N2O2S/c1-24-15-5-3-2-4-14(15)16(10-18(24)26)27-11-17(25)23-13-8-6-12(7-9-13)19(20,21)22/h2-10H,11H2,1H3,(H,23,25)
InChIKeyQFYJPCIXLUFQCA-UHFFFAOYSA-N
MW392.40 g/mol
LogP4.29
Rot. Bonds4

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

2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 126458207) has the molecular formula C19H15F3N2O2S and a molecular weight of 392.40 g/mol. Its IUPAC name is 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID126458207
Molecular FormulaC19H15F3N2O2S
Molecular Weight392.40 g/mol
Exact Mass392.08
IUPAC Name2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCn1c(=O)cc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc21
InChIInChI=1S/C19H15F3N2O2S/c1-24-15-5-3-2-4-14(15)16(10-18(24)26)27-11-17(25)23-13-8-6-12(7-9-13)19(20,21)22/h2-10H,11H2,1H3,(H,23,25)
InChIKeyQFYJPCIXLUFQCA-UHFFFAOYSA-N
XLogP4.29
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide (CID 126458207) is 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide is Cn1c(=O)cc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc21.
What is the InChIKey of 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QFYJPCIXLUFQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2S/c1-24-15-5-3-2-4-14(15)16(10-18(24)26)27-11-17(25)23-13-8-6-12(7-9-13)19(20,21)22/h2-10H,11H2,1H3,(H,23,25).
What are the key properties of 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 392.40 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 126458207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).