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

C16H19NO5S — CID 7863244

IUPAC[2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(OCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)C1CC1
InChIInChI=1S/C16H19NO5S/c18-15(10-22-16(19)12-6-7-12)17(13-4-2-1-3-5-13)14-8-9-23(20,21)11-14/h1-5,12,14H,6-11H2/t14-/m0/s1
InChIKeyUDLHYTBLCYAMEZ-AWEZNQCLSA-N
MW337.40 g/mol
LogP1.16
Rot. Bonds5

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

[2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 7863244) has the molecular formula C16H19NO5S and a molecular weight of 337.40 g/mol. Its IUPAC name is [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] cyclopropanecarboxylate
PubChem CID7863244
Molecular FormulaC16H19NO5S
Molecular Weight337.40 g/mol
Exact Mass337.10
IUPAC Name[2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(OCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)C1CC1
InChIInChI=1S/C16H19NO5S/c18-15(10-22-16(19)12-6-7-12)17(13-4-2-1-3-5-13)14-8-9-23(20,21)11-14/h1-5,12,14H,6-11H2/t14-/m0/s1
InChIKeyUDLHYTBLCYAMEZ-AWEZNQCLSA-N
XLogP1.16
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-methoxyacetate
CID 8015354
[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-[(3R)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8549841
[2-(N-[(3R)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] (E)-pent-2-enoate
CID 8673470
[2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7284486
[2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 42985689
2-(4-chlorophenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 7816188
N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-fluorophenoxy)-N-phenylacetamide
CID 7817842
[2-(N-[(3R)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 7867468
[2-(N-[(3R)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 7849511
[2-(N-(1,1-dioxothiolan-3-yl)anilino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 42903931

Frequently Asked Questions

What is the IUPAC name of [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] cyclopropanecarboxylate (CID 7863244) is [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] cyclopropanecarboxylate is O=C(OCC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)C1CC1.
What is the InChIKey of [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is UDLHYTBLCYAMEZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19NO5S/c18-15(10-22-16(19)12-6-7-12)17(13-4-2-1-3-5-13)14-8-9-23(20,21)11-14/h1-5,12,14H,6-11H2/t14-/m0/s1.
What are the key properties of [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] cyclopropanecarboxylate?
[2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 337.40 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 7863244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).