[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate

C15H18Cl2N2O4S — CID 7362948

IUPAC[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate
SMILESCCCNC(=O)NC(=O)COC(=O)CSCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H18Cl2N2O4S/c1-2-5-18-15(22)19-13(20)7-23-14(21)9-24-8-10-3-4-11(16)12(17)6-10/h3-4,6H,2,5,7-9H2,1H3,(H2,18,19,20,22)
InChIKeyWWCNRUOVNBNHEP-UHFFFAOYSA-N
MW393.29 g/mol
LogP3.01
Rot. Bonds8

About [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate

[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate (PubChem CID 7362948) has the molecular formula C15H18Cl2N2O4S and a molecular weight of 393.29 g/mol. Its IUPAC name is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate.

Molecular Properties

Compound Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate
PubChem CID7362948
Molecular FormulaC15H18Cl2N2O4S
Molecular Weight393.29 g/mol
Exact Mass392.04
IUPAC Name[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate
SMILESCCCNC(=O)NC(=O)COC(=O)CSCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H18Cl2N2O4S/c1-2-5-18-15(22)19-13(20)7-23-14(21)9-24-8-10-3-4-11(16)12(17)6-10/h3-4,6H,2,5,7-9H2,1H3,(H2,18,19,20,22)
InChIKeyWWCNRUOVNBNHEP-UHFFFAOYSA-N
XLogP3.01
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(2,6-dichlorophenyl)sulfanylacetate
CID 2565803
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate
CID 2571528
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-heptylacetamide
CID 17309862
[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 2-(3,4-dichlorophenyl)acetate
CID 9203223
[2-(butylcarbamoylamino)-2-oxoethyl] 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 8576458
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-fluorophenyl)propanoate
CID 8553142
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2536266
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(4-phenylphenyl)acetate
CID 7704066
[2-oxo-2-(propylcarbamoylamino)ethyl] 4-ethylbenzoate
CID 2607035
[2-(ethylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2514718
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(5-chloro-2-methoxyphenyl)acetate
CID 8615975
2-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-propylpropanamide
CID 132678068

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate?
The IUPAC name of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate (CID 7362948) is [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate.
What is the SMILES notation for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate?
The canonical SMILES for [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate is CCCNC(=O)NC(=O)COC(=O)CSCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate?
The InChIKey is WWCNRUOVNBNHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O4S/c1-2-5-18-15(22)19-13(20)7-23-14(21)9-24-8-10-3-4-11(16)12(17)6-10/h3-4,6H,2,5,7-9H2,1H3,(H2,18,19,20,22).
What are the key properties of [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate?
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(3,4-dichlorophenyl)methylsulfanyl]acetate has a molecular weight of 393.29 g/mol, XLogP of 3.01, 8 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-[(3,4-dichlorophenyl)methylsulfanyl]acetate is sourced from PubChem (CID 7362948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).