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

C14H15FN2O2S — CID 17409766

IUPAC1-(2-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
SMILESO=C(NCCSCc1ccco1)Nc1ccccc1F
InChIInChI=1S/C14H15FN2O2S/c15-12-5-1-2-6-13(12)17-14(18)16-7-9-20-10-11-4-3-8-19-11/h1-6,8H,7,9-10H2,(H2,16,17,18)
InChIKeyCAVMLWTXGXGAPU-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.47
Rot. Bonds6

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

1-(2-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea (PubChem CID 17409766) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
PubChem CID17409766
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name1-(2-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
SMILESO=C(NCCSCc1ccco1)Nc1ccccc1F
InChIInChI=1S/C14H15FN2O2S/c15-12-5-1-2-6-13(12)17-14(18)16-7-9-20-10-11-4-3-8-19-11/h1-6,8H,7,9-10H2,(H2,16,17,18)
InChIKeyCAVMLWTXGXGAPU-UHFFFAOYSA-N
XLogP3.47
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.47
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-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607924
1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 74225838
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-(4-cyanophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 3518746
1-(3-chloro-2-methylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607944
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 5146775
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-naphthalen-1-ylacetamide
CID 18113744
(2R)-2-[(2-fluorophenyl)sulfonylamino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-methylsulfanylbutanamide
CID 41136094
1-(2-fluorophenyl)-3-[2-(furan-3-yl)ethyl]urea
CID 90558541
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 17313004
1-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(2-propan-2-ylphenyl)thiourea
CID 2447577

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea?
The IUPAC name of 1-(2-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea (CID 17409766) is 1-(2-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea?
The canonical SMILES for 1-(2-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea is O=C(NCCSCc1ccco1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea?
The InChIKey is CAVMLWTXGXGAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c15-12-5-1-2-6-13(12)17-14(18)16-7-9-20-10-11-4-3-8-19-11/h1-6,8H,7,9-10H2,(H2,16,17,18).
What are the key properties of 1-(2-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea?
1-(2-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea has a molecular weight of 294.35 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea is sourced from PubChem (CID 17409766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).