3-(difluoromethoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide

C19H15F2NO2S2 — CID 24514517

IUPAC3-(difluoromethoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1SCc1ccsc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H15F2NO2S2/c20-19(21)24-15-5-3-4-14(10-15)18(23)22-16-6-1-2-7-17(16)26-12-13-8-9-25-11-13/h1-11,19H,12H2,(H,22,23)
InChIKeyRJLWQTIUOOVDRR-UHFFFAOYSA-N
MW391.46 g/mol
LogP5.89
Rot. Bonds7

About 3-(difluoromethoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide

3-(difluoromethoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide (PubChem CID 24514517) has the molecular formula C19H15F2NO2S2 and a molecular weight of 391.46 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide
PubChem CID24514517
Molecular FormulaC19H15F2NO2S2
Molecular Weight391.46 g/mol
Exact Mass391.05
IUPAC Name3-(difluoromethoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1SCc1ccsc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C19H15F2NO2S2/c20-19(21)24-15-5-3-4-14(10-15)18(23)22-16-6-1-2-7-17(16)26-12-13-8-9-25-11-13/h1-11,19H,12H2,(H,22,23)
InChIKeyRJLWQTIUOOVDRR-UHFFFAOYSA-N
XLogP5.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.46
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(difluoromethoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide 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

4-fluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide
CID 26771125
N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide
CID 114298284
3-[(2-chlorophenyl)methoxy]-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]benzamide
CID 100749756
2-(4-cyanophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide
CID 18275752
3-(difluoromethoxy)-N-(4-fluoro-2-methylphenyl)benzamide
CID 844019
N-[2-(difluoromethoxy)phenyl]-3-ethoxybenzamide
CID 934563
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
N-(4-amino-2-bromophenyl)-3-(difluoromethoxy)benzamide
CID 43549460
3-(difluoromethoxy)-N-[2-(4-methylphenoxy)phenyl]benzamide
CID 7925660
N-[2-(difluoromethoxy)phenyl]-2-thiophen-3-ylacetamide
CID 7941457
N-[2-(difluoromethoxy)phenyl]-3-propoxybenzamide
CID 2067465
3-(difluoromethoxy)-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 110902273

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide (CID 24514517) is 3-(difluoromethoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide is O=C(Nc1ccccc1SCc1ccsc1)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide?
The InChIKey is RJLWQTIUOOVDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO2S2/c20-19(21)24-15-5-3-4-14(10-15)18(23)22-16-6-1-2-7-17(16)26-12-13-8-9-25-11-13/h1-11,19H,12H2,(H,22,23).
What are the key properties of 3-(difluoromethoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide?
3-(difluoromethoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide has a molecular weight of 391.46 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 24514517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).