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

C26H24N2O7 — CID 3245228

IUPAC3-[(3,4-dimethoxybenzoyl)amino]-N-(2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C26H24N2O7/c1-31-16-10-11-18(21(14-16)33-3)27-26(30)24-23(17-7-5-6-8-19(17)35-24)28-25(29)15-9-12-20(32-2)22(13-15)34-4/h5-14H,1-4H3,(H,27,30)(H,28,29)
InChIKeyMTXZCHVRRKYILP-UHFFFAOYSA-N
MW476.49 g/mol
LogP4.97
Rot. Bonds8

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

3-[(3,4-dimethoxybenzoyl)amino]-N-(2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide (PubChem CID 3245228) has the molecular formula C26H24N2O7 and a molecular weight of 476.49 g/mol. Its IUPAC name is 3-[(3,4-dimethoxybenzoyl)amino]-N-(2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(3,4-dimethoxybenzoyl)amino]-N-(2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
PubChem CID3245228
Molecular FormulaC26H24N2O7
Molecular Weight476.49 g/mol
Exact Mass476.16
IUPAC Name3-[(3,4-dimethoxybenzoyl)amino]-N-(2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C26H24N2O7/c1-31-16-10-11-18(21(14-16)33-3)27-26(30)24-23(17-7-5-6-8-19(17)35-24)28-25(29)15-9-12-20(32-2)22(13-15)34-4/h5-14H,1-4H3,(H,27,30)(H,28,29)
InChIKeyMTXZCHVRRKYILP-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 3-[(3,4-dimethoxybenzoyl)amino]-N-(2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(3,4-dimethoxybenzoyl)amino]-N-(2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide (CID 3245228) is 3-[(3,4-dimethoxybenzoyl)amino]-N-(2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(3,4-dimethoxybenzoyl)amino]-N-(2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(3,4-dimethoxybenzoyl)amino]-N-(2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide is COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(OC)c(OC)c2)c(OC)c1.
What is the InChIKey of 3-[(3,4-dimethoxybenzoyl)amino]-N-(2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is MTXZCHVRRKYILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O7/c1-31-16-10-11-18(21(14-16)33-3)27-26(30)24-23(17-7-5-6-8-19(17)35-24)28-25(29)15-9-12-20(32-2)22(13-15)34-4/h5-14H,1-4H3,(H,27,30)(H,28,29).
What are the key properties of 3-[(3,4-dimethoxybenzoyl)amino]-N-(2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide?
3-[(3,4-dimethoxybenzoyl)amino]-N-(2,4-dimethoxyphenyl)-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 3-[(3,4-dimethoxybenzoyl)amino]-N-(2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3245228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).