[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenoxybenzoate

C19H19NO6S — CID 2998171

IUPAC[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenoxybenzoate
SMILESO=C(COC(=O)c1ccccc1Oc1ccccc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C19H19NO6S/c21-18(20-14-10-11-27(23,24)13-14)12-25-19(22)16-8-4-5-9-17(16)26-15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,20,21)
InChIKeySSJOTZDBPOGLQQ-UHFFFAOYSA-N
MW389.43 g/mol
LogP1.94
Rot. Bonds6

About [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenoxybenzoate

[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenoxybenzoate (PubChem CID 2998171) has the molecular formula C19H19NO6S and a molecular weight of 389.43 g/mol. Its IUPAC name is [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenoxybenzoate.

Molecular Properties

Compound Name[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenoxybenzoate
PubChem CID2998171
Molecular FormulaC19H19NO6S
Molecular Weight389.43 g/mol
Exact Mass389.09
IUPAC Name[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenoxybenzoate
SMILESO=C(COC(=O)c1ccccc1Oc1ccccc1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C19H19NO6S/c21-18(20-14-10-11-27(23,24)13-14)12-25-19(22)16-8-4-5-9-17(16)26-15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,20,21)
InChIKeySSJOTZDBPOGLQQ-UHFFFAOYSA-N
XLogP1.94
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenoxybenzoate?
The IUPAC name of [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenoxybenzoate (CID 2998171) is [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenoxybenzoate.
What is the SMILES notation for [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenoxybenzoate?
The canonical SMILES for [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenoxybenzoate is O=C(COC(=O)c1ccccc1Oc1ccccc1)NC1CCS(=O)(=O)C1.
What is the InChIKey of [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenoxybenzoate?
The InChIKey is SSJOTZDBPOGLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6S/c21-18(20-14-10-11-27(23,24)13-14)12-25-19(22)16-8-4-5-9-17(16)26-15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,20,21).
What are the key properties of [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenoxybenzoate?
[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenoxybenzoate has a molecular weight of 389.43 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 2-phenoxybenzoate is sourced from PubChem (CID 2998171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).