2-(2,4-difluorophenyl)sulfanyl-N-(1-phenylethyl)quinoline-4-carboxamide

C24H18F2N2OS — CID 5218637

IUPAC2-(2,4-difluorophenyl)sulfanyl-N-(1-phenylethyl)quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(Sc2ccc(F)cc2F)nc2ccccc12)c1ccccc1
InChIInChI=1S/C24H18F2N2OS/c1-15(16-7-3-2-4-8-16)27-24(29)19-14-23(28-21-10-6-5-9-18(19)21)30-22-12-11-17(25)13-20(22)26/h2-15H,1H3,(H,27,29)
InChIKeyNSZYXTUPAQNSCB-UHFFFAOYSA-N
MW420.48 g/mol
LogP6.16
Rot. Bonds5

About 2-(2,4-difluorophenyl)sulfanyl-N-(1-phenylethyl)quinoline-4-carboxamide

2-(2,4-difluorophenyl)sulfanyl-N-(1-phenylethyl)quinoline-4-carboxamide (PubChem CID 5218637) has the molecular formula C24H18F2N2OS and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N-(1-phenylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N-(1-phenylethyl)quinoline-4-carboxamide
PubChem CID5218637
Molecular FormulaC24H18F2N2OS
Molecular Weight420.48 g/mol
Exact Mass420.11
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N-(1-phenylethyl)quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(Sc2ccc(F)cc2F)nc2ccccc12)c1ccccc1
InChIInChI=1S/C24H18F2N2OS/c1-15(16-7-3-2-4-8-16)27-24(29)19-14-23(28-21-10-6-5-9-18(19)21)30-22-12-11-17(25)13-20(22)26/h2-15H,1H3,(H,27,29)
InChIKeyNSZYXTUPAQNSCB-UHFFFAOYSA-N
XLogP6.16
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.48
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide
CID 5218638
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide
CID 112761308
N-butan-2-yl-2-(2-methylsulfanylphenyl)sulfanylquinoline-4-carboxamide
CID 20968472
2-bromo-4-fluoro-N-(1-phenylethyl)benzamide
CID 24708890
6-fluoro-N-(1-phenylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42750181
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 16574262
5-chloro-2-hydroxy-N-[(1S)-1-phenylethyl]benzamide;2-phenyl-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 159321115
N-[1-(4-fluorophenyl)ethyl]-4-methoxyquinoline-2-carboxamide
CID 71824014
2-(furan-2-yl)-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
CID 903434
N-cyclopropyl-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide
CID 5216224
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1273223
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-(1-phenylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-(1-phenylethyl)quinoline-4-carboxamide (CID 5218637) is 2-(2,4-difluorophenyl)sulfanyl-N-(1-phenylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N-(1-phenylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N-(1-phenylethyl)quinoline-4-carboxamide is CC(NC(=O)c1cc(Sc2ccc(F)cc2F)nc2ccccc12)c1ccccc1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N-(1-phenylethyl)quinoline-4-carboxamide?
The InChIKey is NSZYXTUPAQNSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N2OS/c1-15(16-7-3-2-4-8-16)27-24(29)19-14-23(28-21-10-6-5-9-18(19)21)30-22-12-11-17(25)13-20(22)26/h2-15H,1H3,(H,27,29).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N-(1-phenylethyl)quinoline-4-carboxamide?
2-(2,4-difluorophenyl)sulfanyl-N-(1-phenylethyl)quinoline-4-carboxamide has a molecular weight of 420.48 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N-(1-phenylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 5218637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).