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

C25H22N2O5 — CID 16818095

IUPACN-(3,4-dimethoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2C)cc1OC
InChIInChI=1S/C25H22N2O5/c1-15-8-4-5-9-17(15)24(28)27-22-18-10-6-7-11-19(18)32-23(22)25(29)26-16-12-13-20(30-2)21(14-16)31-3/h4-14H,1-3H3,(H,26,29)(H,27,28)
InChIKeyGMRGSNYQOWLAEF-UHFFFAOYSA-N
MW430.46 g/mol
LogP5.26
Rot. Bonds6

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

N-(3,4-dimethoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide (PubChem CID 16818095) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
PubChem CID16818095
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC NameN-(3,4-dimethoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2C)cc1OC
InChIInChI=1S/C25H22N2O5/c1-15-8-4-5-9-17(15)24(28)27-22-18-10-6-7-11-19(18)32-23(22)25(29)26-16-12-13-20(30-2)21(14-16)31-3/h4-14H,1-3H3,(H,26,29)(H,27,28)
InChIKeyGMRGSNYQOWLAEF-UHFFFAOYSA-N
XLogP5.26
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.46
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 20875169
3-[(5-bromofuran-2-carbonyl)amino]-N-(3,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 16818188
N-(3,4-dimethoxyphenyl)-3-(thiophene-2-carbonylamino)-1-benzofuran-2-carboxamide
CID 16818189
N-(3,4-dimethoxyphenyl)-3-(methylsulfanylmethyl)-1-benzofuran-2-carboxamide
CID 17438326
2-methyl-N-(9-oxoxanthen-3-yl)benzamide
CID 23472165
N-(3-chlorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817375
N-(3,4-dimethylphenyl)-3-(propanoylamino)-1-benzofuran-2-carboxamide
CID 7204937
N-(3-chloro-4-fluorophenyl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817718
3-[[2-(3,4-dimethoxyphenyl)-2-oxoethyl]amino]-N-(3-methylphenyl)-1-benzofuran-2-carboxamide
CID 110829952
3-acetamido-N-(4-methoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875163
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2653280
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide (CID 16818095) is N-(3,4-dimethoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide is COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide?
The InChIKey is GMRGSNYQOWLAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c1-15-8-4-5-9-17(15)24(28)27-22-18-10-6-7-11-19(18)32-23(22)25(29)26-16-12-13-20(30-2)21(14-16)31-3/h4-14H,1-3H3,(H,26,29)(H,27,28).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide?
N-(3,4-dimethoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide has a molecular weight of 430.46 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16818095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).