[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate

C15H18F2N2O4S — CID 8984222

IUPAC[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
SMILESCC[C@@H](C)NC(=O)NC(=O)COC(=O)c1ccccc1SC(F)F
InChIInChI=1S/C15H18F2N2O4S/c1-3-9(2)18-15(22)19-12(20)8-23-13(21)10-6-4-5-7-11(10)24-14(16)17/h4-7,9,14H,3,8H2,1-2H3,(H2,18,19,20,22)/t9-/m1/s1
InChIKeyLFQYZWDLJIOICS-SECBINFHSA-N
MW360.38 g/mol
LogP2.78
Rot. Bonds7

About [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate

[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate (PubChem CID 8984222) has the molecular formula C15H18F2N2O4S and a molecular weight of 360.38 g/mol. Its IUPAC name is [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate.

Molecular Properties

Compound Name[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
PubChem CID8984222
Molecular FormulaC15H18F2N2O4S
Molecular Weight360.38 g/mol
Exact Mass360.10
IUPAC Name[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
SMILESCC[C@@H](C)NC(=O)NC(=O)COC(=O)c1ccccc1SC(F)F
InChIInChI=1S/C15H18F2N2O4S/c1-3-9(2)18-15(22)19-12(20)8-23-13(21)10-6-4-5-7-11(10)24-14(16)17/h4-7,9,14H,3,8H2,1-2H3,(H2,18,19,20,22)/t9-/m1/s1
InChIKeyLFQYZWDLJIOICS-SECBINFHSA-N
XLogP2.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate with MolForge

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Related Compounds

[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-chlorobenzoate
CID 7775896
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-bromobenzoate
CID 7775435
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927308
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11927306
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 8983827
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate
CID 7806754
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676481
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8817073
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806947
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-fluorobenzoate
CID 8612636
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771951
[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 18202386

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate?
The IUPAC name of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate (CID 8984222) is [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate.
What is the SMILES notation for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate?
The canonical SMILES for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate is CC[C@@H](C)NC(=O)NC(=O)COC(=O)c1ccccc1SC(F)F.
What is the InChIKey of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate?
The InChIKey is LFQYZWDLJIOICS-SECBINFHSA-N. The full InChI is InChI=1S/C15H18F2N2O4S/c1-3-9(2)18-15(22)19-12(20)8-23-13(21)10-6-4-5-7-11(10)24-14(16)17/h4-7,9,14H,3,8H2,1-2H3,(H2,18,19,20,22)/t9-/m1/s1.
What are the key properties of [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate?
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate has a molecular weight of 360.38 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate is sourced from PubChem (CID 8984222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).