3-(4-fluorophenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea

C15H17FN2OS — CID 22510485

IUPAC3-(4-fluorophenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea
SMILESCCCN(Cc1cccs1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H17FN2OS/c1-2-9-18(11-14-4-3-10-20-14)15(19)17-13-7-5-12(16)6-8-13/h3-8,10H,2,9,11H2,1H3,(H,17,19)
InChIKeyDGTNAKOGDBUITM-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.33
Rot. Bonds5

About 3-(4-fluorophenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea

3-(4-fluorophenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea (PubChem CID 22510485) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea
PubChem CID22510485
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name3-(4-fluorophenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea
SMILESCCCN(Cc1cccs1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H17FN2OS/c1-2-9-18(11-14-4-3-10-20-14)15(19)17-13-7-5-12(16)6-8-13/h3-8,10H,2,9,11H2,1H3,(H,17,19)
InChIKeyDGTNAKOGDBUITM-UHFFFAOYSA-N
XLogP4.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-(4-fluorophenyl)-1-(thiophen-2-ylmethyl)urea
CID 27871706
3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 27868223
N-benzyl-2-[(4-methylsulfanylphenyl)carbamoyl-propylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4640530
1-ethyl-3-[4-(1-hydroxyethyl)phenyl]-1-(thiophen-2-ylmethyl)urea
CID 61438232
3-[4-(1-aminoethyl)phenyl]-1-ethyl-1-(thiophen-2-ylmethyl)urea
CID 61438323
1-[3-(3-chlorophenyl)propyl]-3-(4-fluorophenyl)-1-(3-thiophen-2-ylpropyl)urea
CID 141110706
N-ethyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 60655445
2-[(4-chlorophenyl)carbamoyl-(3-methoxypropyl)amino]-N-[(4-fluorophenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 5001282
3-(1-adamantyl)-1-propyl-1-(thiophen-2-ylmethyl)urea
CID 6624810
1-(2-methoxyethyl)-3-(4-sulfamoylphenyl)-1-(thiophen-2-ylmethyl)urea
CID 17469327
N-[(4-fluorophenyl)methyl]-2-[3-methoxypropyl-[(4-methylsulfanylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 5164570
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]azanium
CID 8594394

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-(4-fluorophenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea (CID 22510485) is 3-(4-fluorophenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-(4-fluorophenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-(4-fluorophenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea is CCCN(Cc1cccs1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea?
The InChIKey is DGTNAKOGDBUITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-2-9-18(11-14-4-3-10-20-14)15(19)17-13-7-5-12(16)6-8-13/h3-8,10H,2,9,11H2,1H3,(H,17,19).
What are the key properties of 3-(4-fluorophenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea?
3-(4-fluorophenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea has a molecular weight of 292.38 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-propyl-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 22510485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).