[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate

C16H18F2N2O4S — CID 8983827

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
SMILESO=C(COC(=O)c1ccccc1SC(F)F)NC(=O)NC1CCCC1
InChIInChI=1S/C16H18F2N2O4S/c17-15(18)25-12-8-4-3-7-11(12)14(22)24-9-13(21)20-16(23)19-10-5-1-2-6-10/h3-4,7-8,10,15H,1-2,5-6,9H2,(H2,19,20,21,23)
InChIKeyOMSGTINBTLONDH-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.93
Rot. Bonds6

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate (PubChem CID 8983827) has the molecular formula C16H18F2N2O4S and a molecular weight of 372.39 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
PubChem CID8983827
Molecular FormulaC16H18F2N2O4S
Molecular Weight372.39 g/mol
Exact Mass372.10
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
SMILESO=C(COC(=O)c1ccccc1SC(F)F)NC(=O)NC1CCCC1
InChIInChI=1S/C16H18F2N2O4S/c17-15(18)25-12-8-4-3-7-11(12)14(22)24-9-13(21)20-16(23)19-10-5-1-2-6-10/h3-4,7-8,10,15H,1-2,5-6,9H2,(H2,19,20,21,23)
InChIKeyOMSGTINBTLONDH-UHFFFAOYSA-N
XLogP2.93
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 7797585
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 8984222
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11916330
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 11929185
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylbenzoate
CID 8665647
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620254
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7890943
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842805
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 7749935
[2-(cyclopentylamino)-2-oxoethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
CID 7209185
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 3903369
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596658

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate (CID 8983827) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate is O=C(COC(=O)c1ccccc1SC(F)F)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate?
The InChIKey is OMSGTINBTLONDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O4S/c17-15(18)25-12-8-4-3-7-11(12)14(22)24-9-13(21)20-16(23)19-10-5-1-2-6-10/h3-4,7-8,10,15H,1-2,5-6,9H2,(H2,19,20,21,23).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate has a molecular weight of 372.39 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate is sourced from PubChem (CID 8983827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).