1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea

C17H17F3N2O2S — CID 71781792

IUPAC1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC(O)(c1cccs1)C1CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O2S/c18-17(19,20)12-4-1-2-5-13(12)22-15(23)21-10-16(24,11-7-8-11)14-6-3-9-25-14/h1-6,9,11,24H,7-8,10H2,(H2,21,22,23)
InChIKeyFGNALQNQZUHYRC-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.19
Rot. Bonds5

About 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea

1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 71781792) has the molecular formula C17H17F3N2O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID71781792
Molecular FormulaC17H17F3N2O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC Name1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCC(O)(c1cccs1)C1CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O2S/c18-17(19,20)12-4-1-2-5-13(12)22-15(23)21-10-16(24,11-7-8-11)14-6-3-9-25-14/h1-6,9,11,24H,7-8,10H2,(H2,21,22,23)
InChIKeyFGNALQNQZUHYRC-UHFFFAOYSA-N
XLogP4.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea (CID 71781792) is 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea is O=C(NCC(O)(c1cccs1)C1CC1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is FGNALQNQZUHYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2S/c18-17(19,20)12-4-1-2-5-13(12)22-15(23)21-10-16(24,11-7-8-11)14-6-3-9-25-14/h1-6,9,11,24H,7-8,10H2,(H2,21,22,23).
What are the key properties of 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea?
1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 370.40 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 71781792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).