[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate

C19H23NO4S — CID 43034807

IUPAC[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate
SMILESCCCC(C)NC(=O)COC(=O)c1ccccc1SCc1ccco1
InChIInChI=1S/C19H23NO4S/c1-3-7-14(2)20-18(21)12-24-19(22)16-9-4-5-10-17(16)25-13-15-8-6-11-23-15/h4-6,8-11,14H,3,7,12-13H2,1-2H3,(H,20,21)
InChIKeySGUZBQWJACRIIA-UHFFFAOYSA-N
MW361.46 g/mol
LogP4.03
Rot. Bonds9

About [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate

[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate (PubChem CID 43034807) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate
PubChem CID43034807
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate
SMILESCCCC(C)NC(=O)COC(=O)c1ccccc1SCc1ccco1
InChIInChI=1S/C19H23NO4S/c1-3-7-14(2)20-18(21)12-24-19(22)16-9-4-5-10-17(16)25-13-15-8-6-11-23-15/h4-6,8-11,14H,3,7,12-13H2,1-2H3,(H,20,21)
InChIKeySGUZBQWJACRIIA-UHFFFAOYSA-N
XLogP4.03
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate
CID 18075738
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-(furan-2-ylmethylsulfanyl)benzoate
CID 51886138
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-phenoxybenzoate
CID 2498353
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2693378
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(furan-2-ylmethylsulfamoyl)benzoate
CID 7976486
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 2549602
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate
CID 2662915
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 42968380
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2-(furan-2-carbonylamino)benzoate
CID 2601161
[2-oxo-2-(pentan-2-ylamino)ethyl] 1-hydroxynaphthalene-2-carboxylate
CID 18081778
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 7853291
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7228519

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate?
The IUPAC name of [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate (CID 43034807) is [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate.
What is the SMILES notation for [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate?
The canonical SMILES for [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate is CCCC(C)NC(=O)COC(=O)c1ccccc1SCc1ccco1.
What is the InChIKey of [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate?
The InChIKey is SGUZBQWJACRIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-3-7-14(2)20-18(21)12-24-19(22)16-9-4-5-10-17(16)25-13-15-8-6-11-23-15/h4-6,8-11,14H,3,7,12-13H2,1-2H3,(H,20,21).
What are the key properties of [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate?
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate has a molecular weight of 361.46 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate is sourced from PubChem (CID 43034807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).