[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate

C18H17ClN2O4S — CID 55321524

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
SMILESO=C(COC(=O)CSc1ccc(Cl)cc1)NC(=O)NCc1ccccc1
InChIInChI=1S/C18H17ClN2O4S/c19-14-6-8-15(9-7-14)26-12-17(23)25-11-16(22)21-18(24)20-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,20,21,22,24)
InChIKeyXKGCRGZPTFFGHR-UHFFFAOYSA-N
MW392.86 g/mol
LogP3.00
Rot. Bonds7

About [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate

[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate (PubChem CID 55321524) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
PubChem CID55321524
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
SMILESO=C(COC(=O)CSc1ccc(Cl)cc1)NC(=O)NCc1ccccc1
InChIInChI=1S/C18H17ClN2O4S/c19-14-6-8-15(9-7-14)26-12-17(23)25-11-16(22)21-18(24)20-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,20,21,22,24)
InChIKeyXKGCRGZPTFFGHR-UHFFFAOYSA-N
XLogP3.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(benzylcarbamoylamino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2583376
[2-(benzylamino)-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate
CID 7903282
[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 55321562
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2593757
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate
CID 2563950
[2-(benzylamino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2080167
(4-chlorophenyl)methyl 2-phenylsulfanylacetate
CID 533039
[2-(methylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate
CID 3398800
[2-(benzylcarbamoylamino)-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 2092965
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate
CID 7132025
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-acetamidophenyl)sulfanylacetate
CID 2998047
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 7175294

Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate (CID 55321524) is [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate is O=C(COC(=O)CSc1ccc(Cl)cc1)NC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate?
The InChIKey is XKGCRGZPTFFGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c19-14-6-8-15(9-7-14)26-12-17(23)25-11-16(22)21-18(24)20-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,20,21,22,24).
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate?
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate has a molecular weight of 392.86 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate is sourced from PubChem (CID 55321524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).