[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2,6-dichlorophenyl)sulfanylacetate

C14H16Cl2N2O4S — CID 2565803

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2,6-dichlorophenyl)sulfanylacetate
SMILESCCCNC(=O)NC(=O)COC(=O)CSc1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl2N2O4S/c1-2-6-17-14(21)18-11(19)7-22-12(20)8-23-13-9(15)4-3-5-10(13)16/h3-5H,2,6-8H2,1H3,(H2,17,18,19,21)
InChIKeyXVZXIIMGPZOWCH-UHFFFAOYSA-N
MW379.27 g/mol
LogP2.86
Rot. Bonds7

About [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2,6-dichlorophenyl)sulfanylacetate

[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2,6-dichlorophenyl)sulfanylacetate (PubChem CID 2565803) has the molecular formula C14H16Cl2N2O4S and a molecular weight of 379.27 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2,6-dichlorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2,6-dichlorophenyl)sulfanylacetate
PubChem CID2565803
Molecular FormulaC14H16Cl2N2O4S
Molecular Weight379.27 g/mol
Exact Mass378.02
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2,6-dichlorophenyl)sulfanylacetate
SMILESCCCNC(=O)NC(=O)COC(=O)CSc1c(Cl)cccc1Cl
InChIInChI=1S/C14H16Cl2N2O4S/c1-2-6-17-14(21)18-11(19)7-22-12(20)8-23-13-9(15)4-3-5-10(13)16/h3-5H,2,6-8H2,1H3,(H2,17,18,19,21)
InChIKeyXVZXIIMGPZOWCH-UHFFFAOYSA-N
XLogP2.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate
CID 7362948
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 7985395
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-fluorophenyl)acetate
CID 7796300
[2-oxo-2-(propylcarbamoylamino)ethyl] (3S)-3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 7838517
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate
CID 7773784
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate
CID 7704066
[2-(butylcarbamoylamino)-2-oxoethyl] 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 8576458
2-[(Z)-(2,3-dichlorophenyl)methylideneamino]oxy-N-(propylcarbamoyl)acetamide
CID 7701446
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615975
[2-(butylcarbamoylamino)-2-oxoethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 55418410
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 7170517
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoate
CID 25296484

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2,6-dichlorophenyl)sulfanylacetate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2,6-dichlorophenyl)sulfanylacetate (CID 2565803) is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2,6-dichlorophenyl)sulfanylacetate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2,6-dichlorophenyl)sulfanylacetate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2,6-dichlorophenyl)sulfanylacetate is CCCNC(=O)NC(=O)COC(=O)CSc1c(Cl)cccc1Cl.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2,6-dichlorophenyl)sulfanylacetate?
The InChIKey is XVZXIIMGPZOWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O4S/c1-2-6-17-14(21)18-11(19)7-22-12(20)8-23-13-9(15)4-3-5-10(13)16/h3-5H,2,6-8H2,1H3,(H2,17,18,19,21).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2,6-dichlorophenyl)sulfanylacetate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2,6-dichlorophenyl)sulfanylacetate has a molecular weight of 379.27 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2,6-dichlorophenyl)sulfanylacetate is sourced from PubChem (CID 2565803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).