[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate

C20H23NO4S — CID 7676056

IUPAC[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)CSc1ccc(C)cc1C
InChIInChI=1S/C20H23NO4S/c1-13-6-8-18(15(3)9-13)26-12-20(23)25-11-19(22)21-16-10-14(2)5-7-17(16)24-4/h5-10H,11-12H2,1-4H3,(H,21,22)
InChIKeyVFZNXNXOTGBXBS-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.89
Rot. Bonds7

About [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate (PubChem CID 7676056) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
PubChem CID7676056
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
SMILESCOc1ccc(C)cc1NC(=O)COC(=O)CSc1ccc(C)cc1C
InChIInChI=1S/C20H23NO4S/c1-13-6-8-18(15(3)9-13)26-12-20(23)25-11-19(22)21-16-10-14(2)5-7-17(16)24-4/h5-10H,11-12H2,1-4H3,(H,21,22)
InChIKeyVFZNXNXOTGBXBS-UHFFFAOYSA-N
XLogP3.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7354922
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 7788503
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] (3R)-3-phenylbutanoate
CID 7266073
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7352783
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983228
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7676099
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 40696696
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 7555281
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7352846
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(2-methylphenyl)sulfanylacetate
CID 7229656
N-(2-methoxy-5-methylphenyl)-2-propan-2-yloxyacetamide
CID 47410584

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate?
The IUPAC name of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate (CID 7676056) is [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate.
What is the SMILES notation for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate?
The canonical SMILES for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate is COc1ccc(C)cc1NC(=O)COC(=O)CSc1ccc(C)cc1C.
What is the InChIKey of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate?
The InChIKey is VFZNXNXOTGBXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-13-6-8-18(15(3)9-13)26-12-20(23)25-11-19(22)21-16-10-14(2)5-7-17(16)24-4/h5-10H,11-12H2,1-4H3,(H,21,22).
What are the key properties of [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate?
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate has a molecular weight of 373.47 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate is sourced from PubChem (CID 7676056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).