2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide

C22H25N3O3S — CID 71797216

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide
SMILESCn1cc(-c2cccs2)nc1CCNC(=O)COc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C22H25N3O3S/c1-22(2)12-15-6-4-7-17(21(15)28-22)27-14-20(26)23-10-9-19-24-16(13-25(19)3)18-8-5-11-29-18/h4-8,11,13H,9-10,12,14H2,1-3H3,(H,23,26)
InChIKeyFDPWGJMSIQWWSO-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.60
Rot. Bonds7

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide (PubChem CID 71797216) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide
PubChem CID71797216
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide
SMILESCn1cc(-c2cccs2)nc1CCNC(=O)COc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C22H25N3O3S/c1-22(2)12-15-6-4-7-17(21(15)28-22)27-14-20(26)23-10-9-19-24-16(13-25(19)3)18-8-5-11-29-18/h4-8,11,13H,9-10,12,14H2,1-3H3,(H,23,26)
InChIKeyFDPWGJMSIQWWSO-UHFFFAOYSA-N
XLogP3.60
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide (CID 71797216) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide is Cn1cc(-c2cccs2)nc1CCNC(=O)COc1cccc2c1OC(C)(C)C2.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide?
The InChIKey is FDPWGJMSIQWWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-22(2)12-15-6-4-7-17(21(15)28-22)27-14-20(26)23-10-9-19-24-16(13-25(19)3)18-8-5-11-29-18/h4-8,11,13H,9-10,12,14H2,1-3H3,(H,23,26).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide has a molecular weight of 411.53 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 71797216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).