3,4-diethoxy-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]benzamide

C21H25N3O3S — CID 71797214

IUPAC3,4-diethoxy-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2nc(-c3cccs3)cn2C)cc1OCC
InChIInChI=1S/C21H25N3O3S/c1-4-26-17-9-8-15(13-18(17)27-5-2)21(25)22-11-10-20-23-16(14-24(20)3)19-7-6-12-28-19/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,22,25)
InChIKeyAUOUFSBUNSSKLZ-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.92
Rot. Bonds9

About 3,4-diethoxy-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]benzamide

3,4-diethoxy-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]benzamide (PubChem CID 71797214) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]benzamide
PubChem CID71797214
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name3,4-diethoxy-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]benzamide
SMILESCCOc1ccc(C(=O)NCCc2nc(-c3cccs3)cn2C)cc1OCC
InChIInChI=1S/C21H25N3O3S/c1-4-26-17-9-8-15(13-18(17)27-5-2)21(25)22-11-10-20-23-16(14-24(20)3)19-7-6-12-28-19/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,22,25)
InChIKeyAUOUFSBUNSSKLZ-UHFFFAOYSA-N
XLogP3.92
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]benzamide (CID 71797214) is 3,4-diethoxy-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]benzamide is CCOc1ccc(C(=O)NCCc2nc(-c3cccs3)cn2C)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]benzamide?
The InChIKey is AUOUFSBUNSSKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-4-26-17-9-8-15(13-18(17)27-5-2)21(25)22-11-10-20-23-16(14-24(20)3)19-7-6-12-28-19/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,22,25).
What are the key properties of 3,4-diethoxy-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]benzamide?
3,4-diethoxy-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]benzamide has a molecular weight of 399.52 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 71797214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).