[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate

C20H23NO4S — CID 7676099

IUPAC[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
SMILESCOc1ccc(CNC(=O)COC(=O)CSc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H23NO4S/c1-14-4-9-18(15(2)10-14)26-13-20(23)25-12-19(22)21-11-16-5-7-17(24-3)8-6-16/h4-10H,11-13H2,1-3H3,(H,21,22)
InChIKeyXUQKHALJXPVSIX-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.26
Rot. Bonds8

About [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate (PubChem CID 7676099) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
PubChem CID7676099
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
SMILESCOc1ccc(CNC(=O)COC(=O)CSc2ccc(C)cc2C)cc1
InChIInChI=1S/C20H23NO4S/c1-14-4-9-18(15(2)10-14)26-13-20(23)25-12-19(22)21-11-16-5-7-17(24-3)8-6-16/h4-10H,11-13H2,1-3H3,(H,21,22)
InChIKeyXUQKHALJXPVSIX-UHFFFAOYSA-N
XLogP3.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7676056
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate
CID 2486756
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7352783
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234856
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7596397
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 7466784
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,5-dimethylbenzoyl)benzoate
CID 26919223
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 7953626
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 48501810
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7354922
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7676096
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548488

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate (CID 7676099) is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate is COc1ccc(CNC(=O)COC(=O)CSc2ccc(C)cc2C)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate?
The InChIKey is XUQKHALJXPVSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-14-4-9-18(15(2)10-14)26-13-20(23)25-12-19(22)21-11-16-5-7-17(24-3)8-6-16/h4-10H,11-13H2,1-3H3,(H,21,22).
What are the key properties of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate?
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate has a molecular weight of 373.47 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(2,4-dimethylphenyl)sulfanylacetate is sourced from PubChem (CID 7676099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).