[2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-methoxyacetate

C15H19NO6S — CID 8015354

IUPAC[2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H19NO6S/c1-21-10-15(18)22-9-14(17)16(12-5-3-2-4-6-12)13-7-8-23(19,20)11-13/h2-6,13H,7-11H2,1H3/t13-/m0/s1
InChIKeyJBIZEZKGBGSSDN-ZDUSSCGKSA-N
MW341.39 g/mol
LogP0.40
Rot. Bonds6

About [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-methoxyacetate

[2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-methoxyacetate (PubChem CID 8015354) has the molecular formula C15H19NO6S and a molecular weight of 341.39 g/mol. Its IUPAC name is [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-methoxyacetate.

Molecular Properties

Compound Name[2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-methoxyacetate
PubChem CID8015354
Molecular FormulaC15H19NO6S
Molecular Weight341.39 g/mol
Exact Mass341.09
IUPAC Name[2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C15H19NO6S/c1-21-10-15(18)22-9-14(17)16(12-5-3-2-4-6-12)13-7-8-23(19,20)11-13/h2-6,13H,7-11H2,1H3/t13-/m0/s1
InChIKeyJBIZEZKGBGSSDN-ZDUSSCGKSA-N
XLogP0.40
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-methoxyacetate with MolForge

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Related Compounds

[2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] cyclopropanecarboxylate
CID 7863244
[2-(N-[(3R)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 8661234
[2-(N-[(3R)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7798844
[2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 42985689
[2-(N-[(3R)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] (E)-pent-2-enoate
CID 8673470
[2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 42903931
[2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7284486
[2-(N-[(3R)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549841
methyl 2-[2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethoxy]benzoate
CID 7763982
[2-(N-[(3R)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 7849511
2-(4-tert-butylphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 8009492
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-fluorophenoxy)-N-phenylacetamide
CID 7817842

Frequently Asked Questions

What is the IUPAC name of [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-methoxyacetate?
The IUPAC name of [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-methoxyacetate (CID 8015354) is [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-methoxyacetate.
What is the SMILES notation for [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-methoxyacetate?
The canonical SMILES for [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-methoxyacetate is COCC(=O)OCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-methoxyacetate?
The InChIKey is JBIZEZKGBGSSDN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19NO6S/c1-21-10-15(18)22-9-14(17)16(12-5-3-2-4-6-12)13-7-8-23(19,20)11-13/h2-6,13H,7-11H2,1H3/t13-/m0/s1.
What are the key properties of [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-methoxyacetate?
[2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-methoxyacetate has a molecular weight of 341.39 g/mol, XLogP of 0.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-methoxyacetate is sourced from PubChem (CID 8015354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).