1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-thiophen-2-ylethyl)urea

C15H17FN2O2S — CID 51094200

IUPAC1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)NCC(O)c1cccc(F)c1
InChIInChI=1S/C15H17FN2O2S/c16-12-4-1-3-11(9-12)14(19)10-18-15(20)17-7-6-13-5-2-8-21-13/h1-5,8-9,14,19H,6-7,10H2,(H2,17,18,20)
InChIKeyLYNYZOOGAGOJGN-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.46
Rot. Bonds6

About 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-thiophen-2-ylethyl)urea

1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-thiophen-2-ylethyl)urea (PubChem CID 51094200) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-thiophen-2-ylethyl)urea
PubChem CID51094200
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-thiophen-2-ylethyl)urea
SMILESO=C(NCCc1cccs1)NCC(O)c1cccc(F)c1
InChIInChI=1S/C15H17FN2O2S/c16-12-4-1-3-11(9-12)14(19)10-18-15(20)17-7-6-13-5-2-8-21-13/h1-5,8-9,14,19H,6-7,10H2,(H2,17,18,20)
InChIKeyLYNYZOOGAGOJGN-UHFFFAOYSA-N
XLogP2.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-thiophen-2-ylethyl)urea?
The IUPAC name of 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-thiophen-2-ylethyl)urea (CID 51094200) is 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-thiophen-2-ylethyl)urea is O=C(NCCc1cccs1)NCC(O)c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-thiophen-2-ylethyl)urea?
The InChIKey is LYNYZOOGAGOJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c16-12-4-1-3-11(9-12)14(19)10-18-15(20)17-7-6-13-5-2-8-21-13/h1-5,8-9,14,19H,6-7,10H2,(H2,17,18,20).
What are the key properties of 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-thiophen-2-ylethyl)urea?
1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-thiophen-2-ylethyl)urea has a molecular weight of 308.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-2-hydroxyethyl]-3-(2-thiophen-2-ylethyl)urea is sourced from PubChem (CID 51094200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).