2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

C16H15F2N3OS2 — CID 31365115

IUPAC2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(Cn1c(SC(F)F)nc2ccccc21)NCCc1cccs1
InChIInChI=1S/C16H15F2N3OS2/c17-15(18)24-16-20-12-5-1-2-6-13(12)21(16)10-14(22)19-8-7-11-4-3-9-23-11/h1-6,9,15H,7-8,10H2,(H,19,22)
InChIKeyCUYNYFFPPYBTSR-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.77
Rot. Bonds7

About 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 31365115) has the molecular formula C16H15F2N3OS2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID31365115
Molecular FormulaC16H15F2N3OS2
Molecular Weight367.45 g/mol
Exact Mass367.06
IUPAC Name2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(Cn1c(SC(F)F)nc2ccccc21)NCCc1cccs1
InChIInChI=1S/C16H15F2N3OS2/c17-15(18)24-16-20-12-5-1-2-6-13(12)21(16)10-14(22)19-8-7-11-4-3-9-23-11/h1-6,9,15H,7-8,10H2,(H,19,22)
InChIKeyCUYNYFFPPYBTSR-UHFFFAOYSA-N
XLogP3.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 50761173
2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide
CID 86908094
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 55462678
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 55970558
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 43022686
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052839
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide
CID 39953718
1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-3-methylurea
CID 86835783
methyl 4-[[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]methyl]benzoate
CID 55406136
N-[4-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]phenyl]-3-methylbutanamide
CID 46543245
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 75479114
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 51238043

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (CID 31365115) is 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is O=C(Cn1c(SC(F)F)nc2ccccc21)NCCc1cccs1.
What is the InChIKey of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is CUYNYFFPPYBTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3OS2/c17-15(18)24-16-20-12-5-1-2-6-13(12)21(16)10-14(22)19-8-7-11-4-3-9-23-11/h1-6,9,15H,7-8,10H2,(H,19,22).
What are the key properties of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 367.45 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 31365115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).