[2-(diethylamino)-2-oxoethyl] 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate

C22H24F2N2O5S — CID 29243511

IUPAC[2-(diethylamino)-2-oxoethyl] 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate
SMILESCCN(CC)C(=O)COC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C22H24F2N2O5S/c1-3-26(4-2)20(28)14-31-21(29)17-7-5-6-8-18(17)30-13-19(27)25-15-9-11-16(12-10-15)32-22(23)24/h5-12,22H,3-4,13-14H2,1-2H3,(H,25,27)
InChIKeyXROFSOWWTBFRTR-UHFFFAOYSA-N
MW466.51 g/mol
LogP4.04
Rot. Bonds11

About [2-(diethylamino)-2-oxoethyl] 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate

[2-(diethylamino)-2-oxoethyl] 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate (PubChem CID 29243511) has the molecular formula C22H24F2N2O5S and a molecular weight of 466.51 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate
PubChem CID29243511
Molecular FormulaC22H24F2N2O5S
Molecular Weight466.51 g/mol
Exact Mass466.14
IUPAC Name[2-(diethylamino)-2-oxoethyl] 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate
SMILESCCN(CC)C(=O)COC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C22H24F2N2O5S/c1-3-26(4-2)20(28)14-31-21(29)17-7-5-6-8-18(17)30-13-19(27)25-15-9-11-16(12-10-15)32-22(23)24/h5-12,22H,3-4,13-14H2,1-2H3,(H,25,27)
InChIKeyXROFSOWWTBFRTR-UHFFFAOYSA-N
XLogP4.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(diethylamino)-2-oxoethyl] 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate with MolForge

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Related Compounds

methyl 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate
CID 42964430
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 2-[2-(4-bromoanilino)-2-oxoethoxy]benzoate
CID 35950064
N-[4-(difluoromethylsulfanyl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 2326558
N-[4-(difluoromethylsulfanyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide
CID 24633206
2-[2-(diethylamino)-2-oxoethyl]sulfanyl-N-[4-(difluoromethylsulfanyl)phenyl]acetamide
CID 112759116
2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]-N-(2-thiophen-2-ylethyl)benzamide
CID 26795665
[2-(4-ethoxyanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691792
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 7662678
ethyl 2-[2-(naphthalen-2-ylamino)-2-oxoethoxy]benzoate
CID 7694825
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 7837711
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16512532
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-ethoxybenzoate
CID 9197450

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate (CID 29243511) is [2-(diethylamino)-2-oxoethyl] 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate is CCN(CC)C(=O)COC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate?
The InChIKey is XROFSOWWTBFRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O5S/c1-3-26(4-2)20(28)14-31-21(29)17-7-5-6-8-18(17)30-13-19(27)25-15-9-11-16(12-10-15)32-22(23)24/h5-12,22H,3-4,13-14H2,1-2H3,(H,25,27).
What are the key properties of [2-(diethylamino)-2-oxoethyl] 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate?
[2-(diethylamino)-2-oxoethyl] 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate has a molecular weight of 466.51 g/mol, XLogP of 4.04, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 2-[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethoxy]benzoate is sourced from PubChem (CID 29243511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).