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

C20H17F2N3O2S2 — CID 43022686

IUPAC2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1c(SC(F)F)nc2ccccc21)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C20H17F2N3O2S2/c21-19(22)29-20-23-16-7-1-2-8-17(16)25(20)13-18(26)24(11-14-5-3-9-27-14)12-15-6-4-10-28-15/h1-10,19H,11-13H2
InChIKeyXJJJGLLEYYJALY-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.23
Rot. Bonds8

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

2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 43022686) has the molecular formula C20H17F2N3O2S2 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID43022686
Molecular FormulaC20H17F2N3O2S2
Molecular Weight433.51 g/mol
Exact Mass433.07
IUPAC Name2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(Cn1c(SC(F)F)nc2ccccc21)N(Cc1ccco1)Cc1cccs1
InChIInChI=1S/C20H17F2N3O2S2/c21-19(22)29-20-23-16-7-1-2-8-17(16)25(20)13-18(26)24(11-14-5-3-9-27-14)12-15-6-4-10-28-15/h1-10,19H,11-13H2
InChIKeyXJJJGLLEYYJALY-UHFFFAOYSA-N
XLogP5.23
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 31365115
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710
3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropanoic acid
CID 62232437
2-(2-oxoquinoxalin-1-yl)-N,N-bis(thiophen-2-ylmethyl)acetamide
CID 31839493
N-ethyl-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 55439304
methyl 3-[[2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetyl]-(2-methylpropyl)amino]propanoate
CID 55820421
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
CID 2444224
N-(furan-2-ylmethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 8832706
N-(furan-2-ylmethyl)-4-hydroxy-N-(thiophen-2-ylmethyl)butanamide
CID 79203775
2,2,2-trifluoro-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 63374843
3-(furan-2-yl)-N,N-bis(thiophen-2-ylmethyl)propanamide
CID 52556210
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 78806406

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide (CID 43022686) is 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide is O=C(Cn1c(SC(F)F)nc2ccccc21)N(Cc1ccco1)Cc1cccs1.
What is the InChIKey of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is XJJJGLLEYYJALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2S2/c21-19(22)29-20-23-16-7-1-2-8-17(16)25(20)13-18(26)24(11-14-5-3-9-27-14)12-15-6-4-10-28-15/h1-10,19H,11-13H2.
What are the key properties of 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide?
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 433.51 g/mol, XLogP of 5.23, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 43022686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).