3-[2-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea

C19H19FN2O2S — CID 27718181

IUPAC3-[2-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
SMILESO=C(NCCc1ccc(F)cc1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C19H19FN2O2S/c20-16-7-5-15(6-8-16)9-10-21-19(23)22(13-17-3-1-11-24-17)14-18-4-2-12-25-18/h1-8,11-12H,9-10,13-14H2,(H,21,23)
InChIKeyONGMBVXRZMRFHB-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.43
Rot. Bonds7

About 3-[2-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea

3-[2-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea (PubChem CID 27718181) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
PubChem CID27718181
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC Name3-[2-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
SMILESO=C(NCCc1ccc(F)cc1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C19H19FN2O2S/c20-16-7-5-15(6-8-16)9-10-21-19(23)22(13-17-3-1-11-24-17)14-18-4-2-12-25-18/h1-8,11-12H,9-10,13-14H2,(H,21,23)
InChIKeyONGMBVXRZMRFHB-UHFFFAOYSA-N
XLogP4.43
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 27718176
3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 71781376
4-[[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 122021768
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)acetamide
CID 90495634
1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea
CID 27718189
2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78789331
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
1,1-dibenzyl-3-[2-(4-fluorophenyl)ethyl]urea
CID 108902120
3,5-dichloro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 24529398
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
3-(2,6-difluorophenyl)-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 90495809

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-[2-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea (CID 27718181) is 3-[2-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-[2-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-[2-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea is O=C(NCCc1ccc(F)cc1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 3-[2-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea?
The InChIKey is ONGMBVXRZMRFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c20-16-7-5-15(6-8-16)9-10-21-19(23)22(13-17-3-1-11-24-17)14-18-4-2-12-25-18/h1-8,11-12H,9-10,13-14H2,(H,21,23).
What are the key properties of 3-[2-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea?
3-[2-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea has a molecular weight of 358.44 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 27718181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).