[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate

C19H19NO5S — CID 8658348

IUPAC[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate
SMILESCCSc1ccccc1C(=O)OCC(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C19H19NO5S/c1-3-26-16-7-5-4-6-15(16)19(23)25-12-17(21)20-14-10-8-13(9-11-14)18(22)24-2/h4-11H,3,12H2,1-2H3,(H,20,21)
InChIKeyXPHLRKRAJONDSB-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.38
Rot. Bonds7

About [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate

[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate (PubChem CID 8658348) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate.

Molecular Properties

Compound Name[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate
PubChem CID8658348
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Name[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate
SMILESCCSc1ccccc1C(=O)OCC(=O)Nc1ccc(C(=O)OC)cc1
InChIInChI=1S/C19H19NO5S/c1-3-26-16-7-5-4-6-15(16)19(23)25-12-17(21)20-14-10-8-13(9-11-14)18(22)24-2/h4-11H,3,12H2,1-2H3,(H,20,21)
InChIKeyXPHLRKRAJONDSB-UHFFFAOYSA-N
XLogP3.38
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658714
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658386
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855380
(2-anilino-2-oxoethyl) 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate
CID 42106297
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate
CID 27968156
[2-(4-methoxyanilino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 2540210
[2-(cyclopropylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658293
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658568
[(2S)-1-amino-1-oxopropan-2-yl] 2-[2-(4-methoxycarbonylanilino)-2-oxoethyl]sulfanylbenzoate
CID 8001329
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8765544
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate
CID 41030457
[2-oxo-2-(4-propoxycarbonylanilino)ethyl] 2-methoxybenzoate
CID 7811220

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate?
The IUPAC name of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate (CID 8658348) is [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate.
What is the SMILES notation for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate?
The canonical SMILES for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate is CCSc1ccccc1C(=O)OCC(=O)Nc1ccc(C(=O)OC)cc1.
What is the InChIKey of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate?
The InChIKey is XPHLRKRAJONDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-3-26-16-7-5-4-6-15(16)19(23)25-12-17(21)20-14-10-8-13(9-11-14)18(22)24-2/h4-11H,3,12H2,1-2H3,(H,20,21).
What are the key properties of [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate?
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate has a molecular weight of 373.43 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxycarbonylanilino)-2-oxoethyl] 2-ethylsulfanylbenzoate is sourced from PubChem (CID 8658348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).