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

C18H17FN2O2S — CID 27718176

IUPAC3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1ccc(F)cc1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C18H17FN2O2S/c19-15-7-5-14(6-8-15)11-20-18(22)21(12-16-3-1-9-23-16)13-17-4-2-10-24-17/h1-10H,11-13H2,(H,20,22)
InChIKeyAKNNETHDBBICGD-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.39
Rot. Bonds6

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

3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea (PubChem CID 27718176) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
PubChem CID27718176
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
SMILESO=C(NCc1ccc(F)cc1)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C18H17FN2O2S/c19-15-7-5-14(6-8-15)11-20-18(22)21(12-16-3-1-9-23-16)13-17-4-2-10-24-17/h1-10H,11-13H2,(H,20,22)
InChIKeyAKNNETHDBBICGD-UHFFFAOYSA-N
XLogP4.39
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 71781376
3-[2-(4-fluorophenyl)ethyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 27718181
1-(furan-2-ylmethyl)-3-prop-2-enyl-1-(thiophen-2-ylmethyl)urea
CID 27718189
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)acetamide
CID 90495634
4-[[furan-2-ylmethyl(thiophen-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 122021768
2-fluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 78789331
1-(furan-2-ylmethyl)-3-(naphthalen-1-ylmethyl)-1-(2-thiophen-2-ylethyl)urea
CID 71781383
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
N-[(1R)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 51686529
N-[(4-chlorophenyl)methyl]-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677619
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea (CID 27718176) is 3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea is O=C(NCc1ccc(F)cc1)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea?
The InChIKey is AKNNETHDBBICGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c19-15-7-5-14(6-8-15)11-20-18(22)21(12-16-3-1-9-23-16)13-17-4-2-10-24-17/h1-10H,11-13H2,(H,20,22).
What are the key properties of 3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea?
3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea has a molecular weight of 344.41 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea is sourced from PubChem (CID 27718176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).