1-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide

C22H25F2N3O2S — CID 16598487

IUPAC1-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCC(C)NC(=O)c1cccc2c1CCCN2CC(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C22H25F2N3O2S/c1-14(2)25-21(29)16-7-5-10-18-15(16)8-6-12-27(18)13-20(28)26-17-9-3-4-11-19(17)30-22(23)24/h3-5,7,9-11,14,22H,6,8,12-13H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyFBIKFEPWUPCDLP-UHFFFAOYSA-N
MW433.52 g/mol
LogP4.53
Rot. Bonds7

About 1-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide

1-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 16598487) has the molecular formula C22H25F2N3O2S and a molecular weight of 433.52 g/mol. Its IUPAC name is 1-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
PubChem CID16598487
Molecular FormulaC22H25F2N3O2S
Molecular Weight433.52 g/mol
Exact Mass433.16
IUPAC Name1-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCC(C)NC(=O)c1cccc2c1CCCN2CC(=O)Nc1ccccc1SC(F)F
InChIInChI=1S/C22H25F2N3O2S/c1-14(2)25-21(29)16-7-5-10-18-15(16)8-6-12-27(18)13-20(28)26-17-9-3-4-11-19(17)30-22(23)24/h3-5,7,9-11,14,22H,6,8,12-13H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyFBIKFEPWUPCDLP-UHFFFAOYSA-N
XLogP4.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide with MolForge

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Related Compounds

1-[2-(2-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598292
1-[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598522
1-[2-(4-chloroanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598332
1-[2-(2-bromo-4-nitroanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16961903
1-[2-(3-cyanoanilino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598308
1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598383
1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598313
1-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598451
1-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 17454682
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598424
1-[2-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 16598588
N-[2-(difluoromethylsulfanyl)phenyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8519875

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
The IUPAC name of 1-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide (CID 16598487) is 1-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide.
What is the SMILES notation for 1-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
The canonical SMILES for 1-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide is CC(C)NC(=O)c1cccc2c1CCCN2CC(=O)Nc1ccccc1SC(F)F.
What is the InChIKey of 1-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
The InChIKey is FBIKFEPWUPCDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O2S/c1-14(2)25-21(29)16-7-5-10-18-15(16)8-6-12-27(18)13-20(28)26-17-9-3-4-11-19(17)30-22(23)24/h3-5,7,9-11,14,22H,6,8,12-13H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 1-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide?
1-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(difluoromethylsulfanyl)anilino]-2-oxoethyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 16598487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).