1-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]urea

C16H14F3N3O2S — CID 51179265

IUPAC1-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]urea
SMILESO=C(CCSc1ccc(F)cc1)NNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H14F3N3O2S/c17-10-1-4-12(5-2-10)25-8-7-15(23)21-22-16(24)20-14-6-3-11(18)9-13(14)19/h1-6,9H,7-8H2,(H,21,23)(H2,20,22,24)
InChIKeyYVBWAWFCLDIXPT-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.44
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]urea

1-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]urea (PubChem CID 51179265) has the molecular formula C16H14F3N3O2S and a molecular weight of 369.37 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]urea
PubChem CID51179265
Molecular FormulaC16H14F3N3O2S
Molecular Weight369.37 g/mol
Exact Mass369.08
IUPAC Name1-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]urea
SMILESO=C(CCSc1ccc(F)cc1)NNC(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H14F3N3O2S/c17-10-1-4-12(5-2-10)25-8-7-15(23)21-22-16(24)20-14-6-3-11(18)9-13(14)19/h1-6,9H,7-8H2,(H,21,23)(H2,20,22,24)
InChIKeyYVBWAWFCLDIXPT-UHFFFAOYSA-N
XLogP3.44
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]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-(2,5-dichlorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]urea
CID 60609405
4-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)butanamide
CID 2088465
1-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-(4-methylphenyl)urea
CID 51179263
1-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-pyridin-3-ylurea
CID 51282892
4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide
CID 134059340
2,5-dichloro-N'-[3-(4-fluorophenyl)sulfanylpropanoyl]benzohydrazide
CID 7910627
N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034745
N-(3,5-dimethylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546514
N-(2-bromo-4-fluorophenyl)-3-phenylsulfanylpropanamide
CID 47249027
N-(4-bromophenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 7546484
3-(4-fluorophenyl)sulfanyl-N'-phenylpropanehydrazide
CID 102604414
N-(4-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 43035639

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]urea (CID 51179265) is 1-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]urea is O=C(CCSc1ccc(F)cc1)NNC(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]urea?
The InChIKey is YVBWAWFCLDIXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2S/c17-10-1-4-12(5-2-10)25-8-7-15(23)21-22-16(24)20-14-6-3-11(18)9-13(14)19/h1-6,9H,7-8H2,(H,21,23)(H2,20,22,24).
What are the key properties of 1-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]urea?
1-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]urea has a molecular weight of 369.37 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[3-(4-fluorophenyl)sulfanylpropanoylamino]urea is sourced from PubChem (CID 51179265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).