N-[4-[2-oxo-2-(2,3,5,6-tetrafluoroanilino)ethyl]sulfanylphenyl]pentanamide

C19H18F4N2O2S — CID 22776241

IUPACN-[4-[2-oxo-2-(2,3,5,6-tetrafluoroanilino)ethyl]sulfanylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(SCC(=O)Nc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C19H18F4N2O2S/c1-2-3-4-15(26)24-11-5-7-12(8-6-11)28-10-16(27)25-19-17(22)13(20)9-14(21)18(19)23/h5-9H,2-4,10H2,1H3,(H,24,26)(H,25,27)
InChIKeyIZGBGBSTQYQCDK-UHFFFAOYSA-N
MW414.42 g/mol
LogP5.10
Rot. Bonds8

About N-[4-[2-oxo-2-(2,3,5,6-tetrafluoroanilino)ethyl]sulfanylphenyl]pentanamide

N-[4-[2-oxo-2-(2,3,5,6-tetrafluoroanilino)ethyl]sulfanylphenyl]pentanamide (PubChem CID 22776241) has the molecular formula C19H18F4N2O2S and a molecular weight of 414.42 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(2,3,5,6-tetrafluoroanilino)ethyl]sulfanylphenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(2,3,5,6-tetrafluoroanilino)ethyl]sulfanylphenyl]pentanamide
PubChem CID22776241
Molecular FormulaC19H18F4N2O2S
Molecular Weight414.42 g/mol
Exact Mass414.10
IUPAC NameN-[4-[2-oxo-2-(2,3,5,6-tetrafluoroanilino)ethyl]sulfanylphenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(SCC(=O)Nc2c(F)c(F)cc(F)c2F)cc1
InChIInChI=1S/C19H18F4N2O2S/c1-2-3-4-15(26)24-11-5-7-12(8-6-11)28-10-16(27)25-19-17(22)13(20)9-14(21)18(19)23/h5-9H,2-4,10H2,1H3,(H,24,26)(H,25,27)
InChIKeyIZGBGBSTQYQCDK-UHFFFAOYSA-N
XLogP5.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.42
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]pentanamide
CID 22781764
2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 19316673
N-[3-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylphenyl]pentanamide
CID 18903057
N-[4-(difluoromethylsulfanyl)phenyl]pentanamide
CID 78773616
N-[4-(methylamino)phenyl]pentanamide
CID 71040406
2-[4-[4-[2-(4-butylanilino)-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(4-butylphenyl)acetamide
CID 3490839
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
2-(4-chlorophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 738704
butyl 4-[[2-(4-fluorophenyl)sulfanylacetyl]amino]benzoate
CID 7228837
2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 42154208
N-[4-(2,3,4-trifluoroanilino)phenyl]pentanamide
CID 112990147
N-(4-methylphenyl)pentanamide
CID 3662375

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(2,3,5,6-tetrafluoroanilino)ethyl]sulfanylphenyl]pentanamide?
The IUPAC name of N-[4-[2-oxo-2-(2,3,5,6-tetrafluoroanilino)ethyl]sulfanylphenyl]pentanamide (CID 22776241) is N-[4-[2-oxo-2-(2,3,5,6-tetrafluoroanilino)ethyl]sulfanylphenyl]pentanamide.
What is the SMILES notation for N-[4-[2-oxo-2-(2,3,5,6-tetrafluoroanilino)ethyl]sulfanylphenyl]pentanamide?
The canonical SMILES for N-[4-[2-oxo-2-(2,3,5,6-tetrafluoroanilino)ethyl]sulfanylphenyl]pentanamide is CCCCC(=O)Nc1ccc(SCC(=O)Nc2c(F)c(F)cc(F)c2F)cc1.
What is the InChIKey of N-[4-[2-oxo-2-(2,3,5,6-tetrafluoroanilino)ethyl]sulfanylphenyl]pentanamide?
The InChIKey is IZGBGBSTQYQCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O2S/c1-2-3-4-15(26)24-11-5-7-12(8-6-11)28-10-16(27)25-19-17(22)13(20)9-14(21)18(19)23/h5-9H,2-4,10H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[2-oxo-2-(2,3,5,6-tetrafluoroanilino)ethyl]sulfanylphenyl]pentanamide?
N-[4-[2-oxo-2-(2,3,5,6-tetrafluoroanilino)ethyl]sulfanylphenyl]pentanamide has a molecular weight of 414.42 g/mol, XLogP of 5.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(2,3,5,6-tetrafluoroanilino)ethyl]sulfanylphenyl]pentanamide is sourced from PubChem (CID 22776241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).