1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea

C14H15BrN2O2S — CID 74225838

IUPAC1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
SMILESO=C(NCCSCc1ccco1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O2S/c15-11-3-5-12(6-4-11)17-14(18)16-7-9-20-10-13-2-1-8-19-13/h1-6,8H,7,9-10H2,(H2,16,17,18)
InChIKeyCYDCYLAEGMCTHX-UHFFFAOYSA-N
MW355.26 g/mol
LogP4.10
Rot. Bonds6

About 1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea

1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea (PubChem CID 74225838) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
PubChem CID74225838
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
SMILESO=C(NCCSCc1ccco1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H15BrN2O2S/c15-11-3-5-12(6-4-11)17-14(18)16-7-9-20-10-13-2-1-8-19-13/h1-6,8H,7,9-10H2,(H2,16,17,18)
InChIKeyCYDCYLAEGMCTHX-UHFFFAOYSA-N
XLogP4.10
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea
CID 3771523
1-(4-cyanophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 3518746
1-(4-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607946
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 5146775
N-(4-bromophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 4279150
1-(2-fluorophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 17409766
1-(2-fluorophenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607924
1-(4-aminophenyl)-3-[2-(furan-2-yl)ethyl]urea
CID 54954990
1-(2,3-dimethylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607945
1-ethyl-3-[2-(furan-2-ylmethylsulfanyl)ethyl]thiourea
CID 8769278
1-(3-chloro-2-methylphenyl)-3-[3-(furan-2-ylmethylsulfanyl)propyl]urea
CID 23607944
1-(4-bromophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110890281

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea (CID 74225838) is 1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea is O=C(NCCSCc1ccco1)Nc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea?
The InChIKey is CYDCYLAEGMCTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c15-11-3-5-12(6-4-11)17-14(18)16-7-9-20-10-13-2-1-8-19-13/h1-6,8H,7,9-10H2,(H2,16,17,18).
What are the key properties of 1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea?
1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea has a molecular weight of 355.26 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea is sourced from PubChem (CID 74225838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).