2-[[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide

C21H23F3N4O3S — CID 55430200

IUPAC2-[[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
SMILESCCCCn1c(SCC(=O)NCC(=O)NCc2ccco2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C21H23F3N4O3S/c1-2-3-8-28-17-7-6-14(21(22,23)24)10-16(17)27-20(28)32-13-19(30)26-12-18(29)25-11-15-5-4-9-31-15/h4-7,9-10H,2-3,8,11-13H2,1H3,(H,25,29)(H,26,30)
InChIKeySTMLHRXVLHIVNS-UHFFFAOYSA-N
MW468.50 g/mol
LogP3.97
Rot. Bonds10

About 2-[[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide

2-[[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 55430200) has the molecular formula C21H23F3N4O3S and a molecular weight of 468.50 g/mol. Its IUPAC name is 2-[[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID55430200
Molecular FormulaC21H23F3N4O3S
Molecular Weight468.50 g/mol
Exact Mass468.14
IUPAC Name2-[[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide
SMILESCCCCn1c(SCC(=O)NCC(=O)NCc2ccco2)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C21H23F3N4O3S/c1-2-3-8-28-17-7-6-14(21(22,23)24)10-16(17)27-20(28)32-13-19(30)26-12-18(29)25-11-15-5-4-9-31-15/h4-7,9-10H,2-3,8,11-13H2,1H3,(H,25,29)(H,26,30)
InChIKeySTMLHRXVLHIVNS-UHFFFAOYSA-N
XLogP3.97
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.50
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 7063825
2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-(1-hydroxypropan-2-yl)acetamide
CID 78857377
N-(4-acetamidophenyl)-2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 25324095
methyl 2-[[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-2-methylpropanoate
CID 55609585
2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 115501975
2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 2276278
2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 4809908
N-(furan-2-ylmethyl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]acetamide
CID 3219915
2-(7-ethyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 655299
2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-hydroxyacetamide
CID 177370204
N-(furan-2-ylmethyl)-2-[[5-(furan-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 860651
N-(benzylcarbamoyl)-2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetamide
CID 3604261

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide (CID 55430200) is 2-[[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide is CCCCn1c(SCC(=O)NCC(=O)NCc2ccco2)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-[[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is STMLHRXVLHIVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O3S/c1-2-3-8-28-17-7-6-14(21(22,23)24)10-16(17)27-20(28)32-13-19(30)26-12-18(29)25-11-15-5-4-9-31-15/h4-7,9-10H,2-3,8,11-13H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 2-[[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide?
2-[[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 468.50 g/mol, XLogP of 3.97, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 55430200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).