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

C18H13F2NOS2 — CID 26771142

IUPAC2,4-difluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1SCc1ccsc1)c1ccc(F)cc1F
InChIInChI=1S/C18H13F2NOS2/c19-13-5-6-14(15(20)9-13)18(22)21-16-3-1-2-4-17(16)24-11-12-7-8-23-10-12/h1-10H,11H2,(H,21,22)
InChIKeyXKUFPOXFGQGQIQ-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.57
Rot. Bonds5

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

2,4-difluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide (PubChem CID 26771142) has the molecular formula C18H13F2NOS2 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide
PubChem CID26771142
Molecular FormulaC18H13F2NOS2
Molecular Weight361.44 g/mol
Exact Mass361.04
IUPAC Name2,4-difluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1SCc1ccsc1)c1ccc(F)cc1F
InChIInChI=1S/C18H13F2NOS2/c19-13-5-6-14(15(20)9-13)18(22)21-16-3-1-2-4-17(16)24-11-12-7-8-23-10-12/h1-10H,11H2,(H,21,22)
InChIKeyXKUFPOXFGQGQIQ-UHFFFAOYSA-N
XLogP5.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide (CID 26771142) is 2,4-difluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide is O=C(Nc1ccccc1SCc1ccsc1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide?
The InChIKey is XKUFPOXFGQGQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NOS2/c19-13-5-6-14(15(20)9-13)18(22)21-16-3-1-2-4-17(16)24-11-12-7-8-23-10-12/h1-10H,11H2,(H,21,22).
What are the key properties of 2,4-difluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide?
2,4-difluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide has a molecular weight of 361.44 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 26771142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).