1-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]urea

C20H15F3N2OS — CID 108896212

IUPAC1-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H15F3N2OS/c21-20(22,23)14-10-12-15(13-11-14)24-19(26)25-17-8-4-5-9-18(17)27-16-6-2-1-3-7-16/h1-13H,(H2,24,25,26)
InChIKeyNCAODTHSTVDXPU-UHFFFAOYSA-N
MW388.41 g/mol
LogP6.50
Rot. Bonds4

About 1-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]urea

1-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 108896212) has the molecular formula C20H15F3N2OS and a molecular weight of 388.41 g/mol. Its IUPAC name is 1-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID108896212
Molecular FormulaC20H15F3N2OS
Molecular Weight388.41 g/mol
Exact Mass388.09
IUPAC Name1-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H15F3N2OS/c21-20(22,23)14-10-12-15(13-11-14)24-19(26)25-17-8-4-5-9-18(17)27-16-6-2-1-3-7-16/h1-13H,(H2,24,25,26)
InChIKeyNCAODTHSTVDXPU-UHFFFAOYSA-N
XLogP6.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.41
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]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-methoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
CID 17298814
(Z)-2-cyano-N-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)anilino]prop-2-enamide
CID 108857280
1-(2-aminophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 61315174
1-(2-ethynylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 135073242
2-[[4-(trifluoromethyl)phenyl]carbamoylamino]benzenesulfonic acid
CID 155294955
1-(2-cyanophenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896183
1-(3,5-dimethoxyphenyl)-3-(2-phenylsulfanylphenyl)urea
CID 108869420
ethyl [4-[(2-phenylsulfanylphenyl)carbamoylamino]phenyl] carbonate
CID 108865530
1-(2-fluoro-3-methylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 97161924
2,2-dichloro-N-(2-phenylsulfanylphenyl)acetamide
CID 4053686
1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea
CID 108867584
1-(2-methylsulfanylphenyl)-3-phenylurea
CID 966909

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]urea (CID 108896212) is 1-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 1-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is NCAODTHSTVDXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2OS/c21-20(22,23)14-10-12-15(13-11-14)24-19(26)25-17-8-4-5-9-18(17)27-16-6-2-1-3-7-16/h1-13H,(H2,24,25,26).
What are the key properties of 1-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]urea?
1-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 388.41 g/mol, XLogP of 6.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylsulfanylphenyl)-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 108896212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).