1-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea

C16H23FN2O4S — CID 108900079

IUPAC1-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea
SMILESCOCCN(C(=O)NCCc1ccccc1F)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H23FN2O4S/c1-23-10-9-19(14-7-11-24(21,22)12-14)16(20)18-8-6-13-4-2-3-5-15(13)17/h2-5,14H,6-12H2,1H3,(H,18,20)
InChIKeyPOYJUXJLTMTYEA-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.21
Rot. Bonds7

About 1-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea

1-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea (PubChem CID 108900079) has the molecular formula C16H23FN2O4S and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea
PubChem CID108900079
Molecular FormulaC16H23FN2O4S
Molecular Weight358.44 g/mol
Exact Mass358.14
IUPAC Name1-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea
SMILESCOCCN(C(=O)NCCc1ccccc1F)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H23FN2O4S/c1-23-10-9-19(14-7-11-24(21,22)12-14)16(20)18-8-6-13-4-2-3-5-15(13)17/h2-5,14H,6-12H2,1H3,(H,18,20)
InChIKeyPOYJUXJLTMTYEA-UHFFFAOYSA-N
XLogP1.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea (CID 108900079) is 1-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea is COCCN(C(=O)NCCc1ccccc1F)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea?
The InChIKey is POYJUXJLTMTYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O4S/c1-23-10-9-19(14-7-11-24(21,22)12-14)16(20)18-8-6-13-4-2-3-5-15(13)17/h2-5,14H,6-12H2,1H3,(H,18,20).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea?
1-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea has a molecular weight of 358.44 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-3-[2-(2-fluorophenyl)ethyl]-1-(2-methoxyethyl)urea is sourced from PubChem (CID 108900079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).