3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide

C26H24N2O5 — CID 110829952

IUPAC3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C(=O)CNc2c(C(=O)Nc3cccc(C)c3)oc3ccccc23)cc1OC
InChIInChI=1S/C26H24N2O5/c1-16-7-6-8-18(13-16)28-26(30)25-24(19-9-4-5-10-21(19)33-25)27-15-20(29)17-11-12-22(31-2)23(14-17)32-3/h4-14,27H,15H2,1-3H3,(H,28,30)
InChIKeyIZLUCKRVSOLEAG-UHFFFAOYSA-N
MW444.49 g/mol
LogP5.31
Rot. Bonds8

About 3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide

3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 110829952) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
PubChem CID110829952
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C(=O)CNc2c(C(=O)Nc3cccc(C)c3)oc3ccccc23)cc1OC
InChIInChI=1S/C26H24N2O5/c1-16-7-6-8-18(13-16)28-26(30)25-24(19-9-4-5-10-21(19)33-25)27-15-20(29)17-11-12-22(31-2)23(14-17)32-3/h4-14,27H,15H2,1-3H3,(H,28,30)
InChIKeyIZLUCKRVSOLEAG-UHFFFAOYSA-N
XLogP5.31
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylphenyl)-3-[[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]amino]-1-benzofuran-2-carboxamide
CID 110828028
N-(3-methylphenyl)-3-(propan-2-ylamino)-1-benzofuran-2-carboxamide
CID 110827101
N-(3,4-dimethoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 16818095
N-(3-chlorophenyl)-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]amino]-1-benzofuran-2-carboxamide
CID 110827753
N-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817375
2-[[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methoxyphenyl)ethanone
CID 110825684
3-[(5-bromofuran-2-carbonyl)amino]-N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 16818188
3-[(2,4-dichlorophenyl)methylamino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
CID 110826674
N-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)-1-benzofuran-2-carboxamide
CID 16818189
2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone
CID 110825903
5-(4-methoxyphenyl)-N-[2-[(3-methylphenyl)carbamoyl]-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide
CID 17010949
N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 6622692

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide (CID 110829952) is 3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide is COc1ccc(C(=O)CNc2c(C(=O)Nc3cccc(C)c3)oc3ccccc23)cc1OC.
What is the InChIKey of 3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is IZLUCKRVSOLEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-16-7-6-8-18(13-16)28-26(30)25-24(19-9-4-5-10-21(19)33-25)27-15-20(29)17-11-12-22(31-2)23(14-17)32-3/h4-14,27H,15H2,1-3H3,(H,28,30).
What are the key properties of 3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide?
3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 5.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110829952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).