[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate

C15H19NO5S — CID 7773238

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
SMILESCCOC(=O)NC(=O)COC(=O)CSCc1ccc(C)cc1
InChIInChI=1S/C15H19NO5S/c1-3-20-15(19)16-13(17)8-21-14(18)10-22-9-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,16,17,19)
InChIKeyABZCUNAIDHSCBO-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.04
Rot. Bonds7

About [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate

[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate (PubChem CID 7773238) has the molecular formula C15H19NO5S and a molecular weight of 325.39 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
PubChem CID7773238
Molecular FormulaC15H19NO5S
Molecular Weight325.39 g/mol
Exact Mass325.10
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
SMILESCCOC(=O)NC(=O)COC(=O)CSCc1ccc(C)cc1
InChIInChI=1S/C15H19NO5S/c1-3-20-15(19)16-13(17)8-21-14(18)10-22-9-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,16,17,19)
InChIKeyABZCUNAIDHSCBO-UHFFFAOYSA-N
XLogP2.04
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(methylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773184
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773068
[2-(4-bromoanilino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773353
ethyl 4-[[2-[2-[(4-methylphenyl)methylsulfanyl]acetyl]oxyacetyl]amino]benzoate
CID 7773460
[2-(4-methylanilino)-2-oxoethyl] 2-[(4-chlorophenyl)methylsulfanyl]acetate
CID 55310798
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773410
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773480
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773370
methyl 2-[[2-[2-[(4-methylphenyl)methylsulfanyl]acetyl]oxyacetyl]amino]benzoate
CID 7773484
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate
CID 7773366
ethyl 2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanylacetate
CID 78760490
ethyl 2-[[4-(chloromethyl)phenyl]methylsulfanyl]acetate
CID 54075974

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate (CID 7773238) is [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate is CCOC(=O)NC(=O)COC(=O)CSCc1ccc(C)cc1.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate?
The InChIKey is ABZCUNAIDHSCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5S/c1-3-20-15(19)16-13(17)8-21-14(18)10-22-9-12-6-4-11(2)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,16,17,19).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate?
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate has a molecular weight of 325.39 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(4-methylphenyl)methylsulfanyl]acetate is sourced from PubChem (CID 7773238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).