1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea

C15H17FN2O2S — CID 23607924

IUPAC1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
SMILESO=C(NCCCSCc1ccco1)Nc1ccccc1F
InChIInChI=1S/C15H17FN2O2S/c16-13-6-1-2-7-14(13)18-15(19)17-8-4-10-21-11-12-5-3-9-20-12/h1-3,5-7,9H,4,8,10-11H2,(H2,17,18,19)
InChIKeyTXZGZUGYSISIAD-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.86
Rot. Bonds7

About 1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea

1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea (PubChem CID 23607924) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
PubChem CID23607924
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
SMILESO=C(NCCCSCc1ccco1)Nc1ccccc1F
InChIInChI=1S/C15H17FN2O2S/c16-13-6-1-2-7-14(13)18-15(19)17-8-4-10-21-11-12-5-3-9-20-12/h1-3,5-7,9H,4,8,10-11H2,(H2,17,18,19)
InChIKeyTXZGZUGYSISIAD-UHFFFAOYSA-N
XLogP3.86
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 17409766
1-(4-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607946
1-(2,3-dimethylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607945
1-(3-chloro-2-methylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607944
1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 74225838
1-(2-fluorophenyl)-3-[3-(furan-2-yl)propyl]thiourea
CID 100756080
N-(5-amino-2-fluorophenyl)-4-(furan-2-ylmethylsulfanyl)butanamide
CID 28979241
1-(4-cyanophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 3518746
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 5146775
1-(2-fluorophenyl)-3-[2-(furan-3-yl)ethyl]urea
CID 90558541
(2R)-2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-methylsulfanylbutanamide
CID 41136094
N-[3-(furan-2-ylmethylsulfanyl)propyl]-4-methylpiperidine-4-carboxamide
CID 72859219

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea (CID 23607924) is 1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea is O=C(NCCCSCc1ccco1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea?
The InChIKey is TXZGZUGYSISIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c16-13-6-1-2-7-14(13)18-15(19)17-8-4-10-21-11-12-5-3-9-20-12/h1-3,5-7,9H,4,8,10-11H2,(H2,17,18,19).
What are the key properties of 1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea?
1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea has a molecular weight of 308.38 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea is sourced from PubChem (CID 23607924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).