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

C18H14FNOS2 — CID 26771125

IUPAC4-fluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1SCc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C18H14FNOS2/c19-15-7-5-14(6-8-15)18(21)20-16-3-1-2-4-17(16)23-12-13-9-10-22-11-13/h1-11H,12H2,(H,20,21)
InChIKeyOZGIKHMQNHKQDT-UHFFFAOYSA-N
MW343.45 g/mol
LogP5.43
Rot. Bonds5

About 4-fluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide

4-fluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide (PubChem CID 26771125) has the molecular formula C18H14FNOS2 and a molecular weight of 343.45 g/mol. Its IUPAC name is 4-fluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide
PubChem CID26771125
Molecular FormulaC18H14FNOS2
Molecular Weight343.45 g/mol
Exact Mass343.05
IUPAC Name4-fluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1SCc1ccsc1)c1ccc(F)cc1
InChIInChI=1S/C18H14FNOS2/c19-15-7-5-14(6-8-15)18(21)20-16-3-1-2-4-17(16)23-12-13-9-10-22-11-13/h1-11H,12H2,(H,20,21)
InChIKeyOZGIKHMQNHKQDT-UHFFFAOYSA-N
XLogP5.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.45
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide
CID 26771142
3-(difluoromethoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide
CID 24514517
1-(4-fluorobenzoyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 24514557
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide
CID 16960648
1-(4-fluorophenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]piperidine-3-carboxamide
CID 24514591
2-(4-ethoxyphenyl)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide
CID 24514543
2-(4-cyanophenoxy)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide
CID 18275752
2-(4-nitrophenyl)sulfanyl-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide
CID 24514537
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 100574546
2-[(4aR,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl]-2-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]acetamide
CID 96519515
N-(2-ethylphenyl)-2-[(4-fluorobenzoyl)amino]benzamide
CID 58758751
4-fluoro-N-(2-iodophenyl)benzamide
CID 687036

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide (CID 26771125) is 4-fluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide is O=C(Nc1ccccc1SCc1ccsc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide?
The InChIKey is OZGIKHMQNHKQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNOS2/c19-15-7-5-14(6-8-15)18(21)20-16-3-1-2-4-17(16)23-12-13-9-10-22-11-13/h1-11H,12H2,(H,20,21).
What are the key properties of 4-fluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide?
4-fluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide has a molecular weight of 343.45 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 26771125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).