[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate

C18H17Cl2NO5S — CID 23966002

IUPAC[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
SMILESCOc1ccc(NC(=O)COC(=O)CSc2cc(Cl)ccc2Cl)c(OC)c1
InChIInChI=1S/C18H17Cl2NO5S/c1-24-12-4-6-14(15(8-12)25-2)21-17(22)9-26-18(23)10-27-16-7-11(19)3-5-13(16)20/h3-8H,9-10H2,1-2H3,(H,21,22)
InChIKeyURHOZWLGCAEQOJ-UHFFFAOYSA-N
MW430.31 g/mol
LogP4.28
Rot. Bonds8

About [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate (PubChem CID 23966002) has the molecular formula C18H17Cl2NO5S and a molecular weight of 430.31 g/mol. Its IUPAC name is [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
PubChem CID23966002
Molecular FormulaC18H17Cl2NO5S
Molecular Weight430.31 g/mol
Exact Mass429.02
IUPAC Name[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
SMILESCOc1ccc(NC(=O)COC(=O)CSc2cc(Cl)ccc2Cl)c(OC)c1
InChIInChI=1S/C18H17Cl2NO5S/c1-24-12-4-6-14(15(8-12)25-2)21-17(22)9-26-18(23)10-27-16-7-11(19)3-5-13(16)20/h3-8H,9-10H2,1-2H3,(H,21,22)
InChIKeyURHOZWLGCAEQOJ-UHFFFAOYSA-N
XLogP4.28
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.31
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 7788503
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 7555281
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 7840796
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701704
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 2497046
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7354922
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701712
(2-anilino-2-oxoethyl) 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701715
N-(2,4-dimethoxyphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7275265
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(8-chloronaphthalen-1-yl)sulfanylacetate
CID 35563802
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-(3,4-dichloroanilino)-4-oxobutanoate
CID 17259504
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701533

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate?
The IUPAC name of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate (CID 23966002) is [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate.
What is the SMILES notation for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate?
The canonical SMILES for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate is COc1ccc(NC(=O)COC(=O)CSc2cc(Cl)ccc2Cl)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate?
The InChIKey is URHOZWLGCAEQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO5S/c1-24-12-4-6-14(15(8-12)25-2)21-17(22)9-26-18(23)10-27-16-7-11(19)3-5-13(16)20/h3-8H,9-10H2,1-2H3,(H,21,22).
What are the key properties of [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate?
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate has a molecular weight of 430.31 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate is sourced from PubChem (CID 23966002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).