1-ethyl-3-[2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]urea

C19H20FN3O2S — CID 3300849

IUPAC1-ethyl-3-[2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]urea
SMILESCCNC(=O)Nc1ccccc1SCC(=O)N1CCc2cc(F)ccc21
InChIInChI=1S/C19H20FN3O2S/c1-2-21-19(25)22-15-5-3-4-6-17(15)26-12-18(24)23-10-9-13-11-14(20)7-8-16(13)23/h3-8,11H,2,9-10,12H2,1H3,(H2,21,22,25)
InChIKeyWMUWUEYCMRDMEF-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.65
Rot. Bonds5

About 1-ethyl-3-[2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]urea

1-ethyl-3-[2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]urea (PubChem CID 3300849) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is 1-ethyl-3-[2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]urea
PubChem CID3300849
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Name1-ethyl-3-[2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]urea
SMILESCCNC(=O)Nc1ccccc1SCC(=O)N1CCc2cc(F)ccc21
InChIInChI=1S/C19H20FN3O2S/c1-2-21-19(25)22-15-5-3-4-6-17(15)26-12-18(24)23-10-9-13-11-14(20)7-8-16(13)23/h3-8,11H,2,9-10,12H2,1H3,(H2,21,22,25)
InChIKeyWMUWUEYCMRDMEF-UHFFFAOYSA-N
XLogP3.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]urea?
The IUPAC name of 1-ethyl-3-[2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]urea (CID 3300849) is 1-ethyl-3-[2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]urea?
The canonical SMILES for 1-ethyl-3-[2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]urea is CCNC(=O)Nc1ccccc1SCC(=O)N1CCc2cc(F)ccc21.
What is the InChIKey of 1-ethyl-3-[2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]urea?
The InChIKey is WMUWUEYCMRDMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-2-21-19(25)22-15-5-3-4-6-17(15)26-12-18(24)23-10-9-13-11-14(20)7-8-16(13)23/h3-8,11H,2,9-10,12H2,1H3,(H2,21,22,25).
What are the key properties of 1-ethyl-3-[2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]urea?
1-ethyl-3-[2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]urea has a molecular weight of 373.45 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-[2-(5-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]urea is sourced from PubChem (CID 3300849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).