1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[(4-fluorophenyl)methyl]urea

C17H19FN2O2S — CID 71781785

IUPAC1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)NCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C17H19FN2O2S/c18-14-7-3-12(4-8-14)10-19-16(21)20-11-17(22,13-5-6-13)15-2-1-9-23-15/h1-4,7-9,13,22H,5-6,10-11H2,(H2,19,20,21)
InChIKeyLMVJTCALKBDURY-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.98
Rot. Bonds6

About 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[(4-fluorophenyl)methyl]urea

1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[(4-fluorophenyl)methyl]urea (PubChem CID 71781785) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[(4-fluorophenyl)methyl]urea
PubChem CID71781785
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[(4-fluorophenyl)methyl]urea
SMILESO=C(NCc1ccc(F)cc1)NCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C17H19FN2O2S/c18-14-7-3-12(4-8-14)10-19-16(21)20-11-17(22,13-5-6-13)15-2-1-9-23-15/h1-4,7-9,13,22H,5-6,10-11H2,(H2,19,20,21)
InChIKeyLMVJTCALKBDURY-UHFFFAOYSA-N
XLogP2.98
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclohexyl-3-[2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl]urea
CID 71781782
1-[2-(3-Fluorophenyl)-2-hydroxyethyl]-3-(2-thiophen-2-ylethyl)urea
CID 51094200
1-(4-Fluorobenzyl)-3-(2-hydroxy-2-(thiophen-3-yl)ethyl)urea
CID 52992665
N1-(thiophen-2-ylmethyl)-N2-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)oxalamide
CID 56764241
N-[2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 71781710
1-(2-Cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl)-3-(thiophen-2-ylmethyl)urea
CID 71781783
1-(2-Hydroxy-2-(thiophen-2-yl)ethyl)-3-phenethylurea
CID 71782519
1-(2-Hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-3-(thiophen-2-ylmethyl)urea
CID 56765524
N-[2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl]-2,6-difluorobenzamide
CID 71781711
N-[2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl]-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 71781727
N1-(2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl)-N2-(4-fluorobenzyl)oxalamide
CID 71781770
1-(2-Cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl)-3-(2-(trifluoromethyl)phenyl)urea
CID 71781792

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[(4-fluorophenyl)methyl]urea (CID 71781785) is 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[(4-fluorophenyl)methyl]urea is O=C(NCc1ccc(F)cc1)NCC(O)(c1cccs1)C1CC1.
What is the InChIKey of 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is LMVJTCALKBDURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c18-14-7-3-12(4-8-14)10-19-16(21)20-11-17(22,13-5-6-13)15-2-1-9-23-15/h1-4,7-9,13,22H,5-6,10-11H2,(H2,19,20,21).
What are the key properties of 1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[(4-fluorophenyl)methyl]urea?
1-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 334.42 g/mol, XLogP of 2.98, 6 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-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 71781785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).