[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate

C18H17F2NO3S — CID 8984093

IUPAC[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
SMILESCc1ccc(NC(=O)COC(=O)c2ccccc2SC(F)F)c(C)c1
InChIInChI=1S/C18H17F2NO3S/c1-11-7-8-14(12(2)9-11)21-16(22)10-24-17(23)13-5-3-4-6-15(13)25-18(19)20/h3-9,18H,10H2,1-2H3,(H,21,22)
InChIKeyAEVYKMCJECQFSV-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.41
Rot. Bonds6

About [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate

[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate (PubChem CID 8984093) has the molecular formula C18H17F2NO3S and a molecular weight of 365.40 g/mol. Its IUPAC name is [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate.

Molecular Properties

Compound Name[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
PubChem CID8984093
Molecular FormulaC18H17F2NO3S
Molecular Weight365.40 g/mol
Exact Mass365.09
IUPAC Name[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
SMILESCc1ccc(NC(=O)COC(=O)c2ccccc2SC(F)F)c(C)c1
InChIInChI=1S/C18H17F2NO3S/c1-11-7-8-14(12(2)9-11)21-16(22)10-24-17(23)13-5-3-4-6-15(13)25-18(19)20/h3-9,18H,10H2,1-2H3,(H,21,22)
InChIKeyAEVYKMCJECQFSV-UHFFFAOYSA-N
XLogP4.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate with MolForge

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Related Compounds

[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate
CID 4856275
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 8983616
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylbenzoate
CID 18893675
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 8786611
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate
CID 23887568
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149349
[2-(2,4-dimethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 7980751
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-iodobenzoate
CID 2509396
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-methoxyacetate
CID 7776162
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-methoxybenzoate
CID 2715006
3-O-[2-(2,4-dimethylanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860621
[2-(2,4-dimethylanilino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723823

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate?
The IUPAC name of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate (CID 8984093) is [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate.
What is the SMILES notation for [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate?
The canonical SMILES for [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate is Cc1ccc(NC(=O)COC(=O)c2ccccc2SC(F)F)c(C)c1.
What is the InChIKey of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate?
The InChIKey is AEVYKMCJECQFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO3S/c1-11-7-8-14(12(2)9-11)21-16(22)10-24-17(23)13-5-3-4-6-15(13)25-18(19)20/h3-9,18H,10H2,1-2H3,(H,21,22).
What are the key properties of [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate?
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate has a molecular weight of 365.40 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethylanilino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate is sourced from PubChem (CID 8984093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).