2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide

C14H16F2N4O2S — CID 86908094

IUPAC2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)Cn1c(SC(F)F)nc2ccccc21
InChIInChI=1S/C14H16F2N4O2S/c1-2-17-11(21)7-18-12(22)8-20-10-6-4-3-5-9(10)19-14(20)23-13(15)16/h3-6,13H,2,7-8H2,1H3,(H,17,21)(H,18,22)
InChIKeyRRFQIDUAJMHFFV-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.60
Rot. Bonds7

About 2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide

2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide (PubChem CID 86908094) has the molecular formula C14H16F2N4O2S and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide
PubChem CID86908094
Molecular FormulaC14H16F2N4O2S
Molecular Weight342.37 g/mol
Exact Mass342.10
IUPAC Name2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)Cn1c(SC(F)F)nc2ccccc21
InChIInChI=1S/C14H16F2N4O2S/c1-2-17-11(21)7-18-12(22)8-20-10-6-4-3-5-9(10)19-14(20)23-13(15)16/h3-6,13H,2,7-8H2,1H3,(H,17,21)(H,18,22)
InChIKeyRRFQIDUAJMHFFV-UHFFFAOYSA-N
XLogP1.60
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]methyl]benzoate
CID 55406136
1-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-3-methylurea
CID 86835783
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-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052839
2-[[2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-ethylacetamide
CID 17419395
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-pyridin-4-ylacetamide
CID 39953718
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 51238043
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 31365115
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 55462678
2-[2-(acetamidomethyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17028901
N-ethyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028648

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide?
The IUPAC name of 2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide (CID 86908094) is 2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide is CCNC(=O)CNC(=O)Cn1c(SC(F)F)nc2ccccc21.
What is the InChIKey of 2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide?
The InChIKey is RRFQIDUAJMHFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2S/c1-2-17-11(21)7-18-12(22)8-20-10-6-4-3-5-9(10)19-14(20)23-13(15)16/h3-6,13H,2,7-8H2,1H3,(H,17,21)(H,18,22).
What are the key properties of 2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide?
2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide has a molecular weight of 342.37 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]amino]-N-ethylacetamide is sourced from PubChem (CID 86908094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).