N-(2-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxamide

C26H24N2O7 — CID 3236099

IUPACN-(2-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C26H24N2O7/c1-31-19-12-8-6-10-17(19)27-26(30)24-22(16-9-5-7-11-18(16)35-24)28-25(29)15-13-20(32-2)23(34-4)21(14-15)33-3/h5-14H,1-4H3,(H,27,30)(H,28,29)
InChIKeyJRJOSHQPRZQXMG-UHFFFAOYSA-N
MW476.49 g/mol
LogP4.97
Rot. Bonds8

About N-(2-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxamide

N-(2-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxamide (PubChem CID 3236099) has the molecular formula C26H24N2O7 and a molecular weight of 476.49 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxamide
PubChem CID3236099
Molecular FormulaC26H24N2O7
Molecular Weight476.49 g/mol
Exact Mass476.16
IUPAC NameN-(2-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxamide
SMILESCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C26H24N2O7/c1-31-19-12-8-6-10-17(19)27-26(30)24-22(16-9-5-7-11-18(16)35-24)28-25(29)15-13-20(32-2)23(34-4)21(14-15)33-3/h5-14H,1-4H3,(H,27,30)(H,28,29)
InChIKeyJRJOSHQPRZQXMG-UHFFFAOYSA-N
XLogP4.97
TPSA108.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxamide (CID 3236099) is N-(2-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxamide is COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-(2-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxamide?
The InChIKey is JRJOSHQPRZQXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O7/c1-31-19-12-8-6-10-17(19)27-26(30)24-22(16-9-5-7-11-18(16)35-24)28-25(29)15-13-20(32-2)23(34-4)21(14-15)33-3/h5-14H,1-4H3,(H,27,30)(H,28,29).
What are the key properties of N-(2-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxamide?
N-(2-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxamide has a molecular weight of 476.49 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3236099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).