[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate

C18H19N3O6S — CID 2998047

IUPAC[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate
SMILESCC(=O)Nc1ccc(SCC(=O)OCC(=O)NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H19N3O6S/c1-12(22)20-13-4-6-15(7-5-13)28-11-17(24)27-10-16(23)21-18(25)19-9-14-3-2-8-26-14/h2-8H,9-11H2,1H3,(H,20,22)(H2,19,21,23,25)
InChIKeyAQITURSZSLZVNE-UHFFFAOYSA-N
MW405.43 g/mol
LogP1.90
Rot. Bonds8

About [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate (PubChem CID 2998047) has the molecular formula C18H19N3O6S and a molecular weight of 405.43 g/mol. Its IUPAC name is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate
PubChem CID2998047
Molecular FormulaC18H19N3O6S
Molecular Weight405.43 g/mol
Exact Mass405.10
IUPAC Name[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate
SMILESCC(=O)Nc1ccc(SCC(=O)OCC(=O)NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C18H19N3O6S/c1-12(22)20-13-4-6-15(7-5-13)28-11-17(24)27-10-16(23)21-18(25)19-9-14-3-2-8-26-14/h2-8H,9-11H2,1H3,(H,20,22)(H2,19,21,23,25)
InChIKeyAQITURSZSLZVNE-UHFFFAOYSA-N
XLogP1.90
TPSA126.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-acetamidobenzoate
CID 7949805
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590459
N-(4-acetamidophenyl)-2-[ethyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 8779537
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] furan-2-carboxylate
CID 2631632
4-O-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 9116888
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
CID 31655781
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525187
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791464
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 2523204
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 24686754
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate
CID 7739268
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717562

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate?
The IUPAC name of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate (CID 2998047) is [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate.
What is the SMILES notation for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate?
The canonical SMILES for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate is CC(=O)Nc1ccc(SCC(=O)OCC(=O)NC(=O)NCc2ccco2)cc1.
What is the InChIKey of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate?
The InChIKey is AQITURSZSLZVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6S/c1-12(22)20-13-4-6-15(7-5-13)28-11-17(24)27-10-16(23)21-18(25)19-9-14-3-2-8-26-14/h2-8H,9-11H2,1H3,(H,20,22)(H2,19,21,23,25).
What are the key properties of [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate?
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate has a molecular weight of 405.43 g/mol, XLogP of 1.90, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate is sourced from PubChem (CID 2998047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).