[2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate

C17H12Cl2N2O3S — CID 7701692

IUPAC[2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
SMILESN#Cc1ccccc1NC(=O)COC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H12Cl2N2O3S/c18-12-5-6-13(19)15(7-12)25-10-17(23)24-9-16(22)21-14-4-2-1-3-11(14)8-20/h1-7H,9-10H2,(H,21,22)
InChIKeyATUSNWXAKSUHLF-UHFFFAOYSA-N
MW395.27 g/mol
LogP4.14
Rot. Bonds6

About [2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate

[2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate (PubChem CID 7701692) has the molecular formula C17H12Cl2N2O3S and a molecular weight of 395.27 g/mol. Its IUPAC name is [2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
PubChem CID7701692
Molecular FormulaC17H12Cl2N2O3S
Molecular Weight395.27 g/mol
Exact Mass393.99
IUPAC Name[2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
SMILESN#Cc1ccccc1NC(=O)COC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C17H12Cl2N2O3S/c18-12-5-6-13(19)15(7-12)25-10-17(23)24-9-16(22)21-14-4-2-1-3-11(14)8-20/h1-7H,9-10H2,(H,21,22)
InChIKeyATUSNWXAKSUHLF-UHFFFAOYSA-N
XLogP4.14
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-anilino-2-oxoethyl) 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701715
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701704
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 7788661
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701533
2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 2390775
[2-(2-cyanoanilino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8619878
[2-(2-cyanoanilino)-2-oxoethyl] 3,5-dichlorobenzoate
CID 2351055
[2-(2-cyanoanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614904
[2-(2-cyanoanilino)-2-oxoethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880936
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701712
[2-(2-chloroanilino)-2-oxoethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7355317
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 23966002

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate?
The IUPAC name of [2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate (CID 7701692) is [2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate.
What is the SMILES notation for [2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate?
The canonical SMILES for [2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate is N#Cc1ccccc1NC(=O)COC(=O)CSc1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate?
The InChIKey is ATUSNWXAKSUHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3S/c18-12-5-6-13(19)15(7-12)25-10-17(23)24-9-16(22)21-14-4-2-1-3-11(14)8-20/h1-7H,9-10H2,(H,21,22).
What are the key properties of [2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate?
[2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate has a molecular weight of 395.27 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate is sourced from PubChem (CID 7701692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).