1-methyl-1-(thiophen-2-ylmethyl)-3-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]urea

C15H15F3N2OS2 — CID 55698725

IUPAC1-methyl-1-(thiophen-2-ylmethyl)-3-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]urea
SMILESCN(Cc1cccs1)C(=O)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C15H15F3N2OS2/c1-20(9-11-5-4-8-22-11)14(21)19-12-6-2-3-7-13(12)23-10-15(16,17)18/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyGRSRFLDZERVZCC-UHFFFAOYSA-N
MW360.43 g/mol
LogP5.07
Rot. Bonds5

About 1-methyl-1-(thiophen-2-ylmethyl)-3-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]urea

1-methyl-1-(thiophen-2-ylmethyl)-3-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]urea (PubChem CID 55698725) has the molecular formula C15H15F3N2OS2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-methyl-1-(thiophen-2-ylmethyl)-3-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]urea.

Molecular Properties

Compound Name1-methyl-1-(thiophen-2-ylmethyl)-3-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]urea
PubChem CID55698725
Molecular FormulaC15H15F3N2OS2
Molecular Weight360.43 g/mol
Exact Mass360.06
IUPAC Name1-methyl-1-(thiophen-2-ylmethyl)-3-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]urea
SMILESCN(Cc1cccs1)C(=O)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C15H15F3N2OS2/c1-20(9-11-5-4-8-22-11)14(21)19-12-6-2-3-7-13(12)23-10-15(16,17)18/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyGRSRFLDZERVZCC-UHFFFAOYSA-N
XLogP5.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.43
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-1-(thiophen-2-ylmethyl)-3-[2-(2,2,2-trifluoroethylsulfanyl)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-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 27868226
3-(4-fluorophenyl)-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 27868223
2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 43167988
3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 53016484
N-(2-ethylsulfanylphenyl)-2-thiophen-2-ylacetamide
CID 94624110
4-hydroxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pentanamide
CID 79192003
(2S)-2-amino-3-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]butanamide
CID 61179824
phenyl N-methyl-N-(thiophen-2-ylmethyl)carbamate
CID 60631092
2,2,2-trifluoroethyl N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]carbamate
CID 65173849
2-anilino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 2533639
3-methyl-3-[[methyl(thiophen-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 64699675
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 16623274

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(thiophen-2-ylmethyl)-3-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]urea?
The IUPAC name of 1-methyl-1-(thiophen-2-ylmethyl)-3-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]urea (CID 55698725) is 1-methyl-1-(thiophen-2-ylmethyl)-3-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]urea.
What is the SMILES notation for 1-methyl-1-(thiophen-2-ylmethyl)-3-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]urea?
The canonical SMILES for 1-methyl-1-(thiophen-2-ylmethyl)-3-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]urea is CN(Cc1cccs1)C(=O)Nc1ccccc1SCC(F)(F)F.
What is the InChIKey of 1-methyl-1-(thiophen-2-ylmethyl)-3-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]urea?
The InChIKey is GRSRFLDZERVZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2OS2/c1-20(9-11-5-4-8-22-11)14(21)19-12-6-2-3-7-13(12)23-10-15(16,17)18/h2-8H,9-10H2,1H3,(H,19,21).
What are the key properties of 1-methyl-1-(thiophen-2-ylmethyl)-3-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]urea?
1-methyl-1-(thiophen-2-ylmethyl)-3-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]urea has a molecular weight of 360.43 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(thiophen-2-ylmethyl)-3-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]urea is sourced from PubChem (CID 55698725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).