[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate

C18H23N3O5S — CID 3921803

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate
SMILESCC(=O)Nc1ccc(SCC(=O)OCC(=O)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H23N3O5S/c1-12(22)19-14-6-8-15(9-7-14)27-11-17(24)26-10-16(23)21-18(25)20-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,19,22)(H2,20,21,23,25)
InChIKeyFWCLSPHRQFMSIY-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.05
Rot. Bonds7

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate (PubChem CID 3921803) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate
PubChem CID3921803
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate
SMILESCC(=O)Nc1ccc(SCC(=O)OCC(=O)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H23N3O5S/c1-12(22)19-14-6-8-15(9-7-14)27-11-17(24)26-10-16(23)21-18(25)20-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,19,22)(H2,20,21,23,25)
InChIKeyFWCLSPHRQFMSIY-UHFFFAOYSA-N
XLogP2.05
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate (CID 3921803) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate is CC(=O)Nc1ccc(SCC(=O)OCC(=O)NC(=O)NC2CCCC2)cc1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate?
The InChIKey is FWCLSPHRQFMSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-12(22)19-14-6-8-15(9-7-14)27-11-17(24)26-10-16(23)21-18(25)20-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,19,22)(H2,20,21,23,25).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate has a molecular weight of 393.47 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate is sourced from PubChem (CID 3921803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).