N-(2-amino-5-thiophen-2-ylphenyl)-7-methoxy-1-benzofuran-2-carboxamide

C20H16N2O3S — CID 59736915

IUPACN-(2-amino-5-thiophen-2-ylphenyl)-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cc(-c4cccs4)ccc3N)oc12
InChIInChI=1S/C20H16N2O3S/c1-24-16-5-2-4-13-11-17(25-19(13)16)20(23)22-15-10-12(7-8-14(15)21)18-6-3-9-26-18/h2-11H,21H2,1H3,(H,22,23)
InChIKeyRSQIRWXHBGFFCE-UHFFFAOYSA-N
MW364.43 g/mol
LogP5.00
Rot. Bonds4

About N-(2-amino-5-thiophen-2-ylphenyl)-7-methoxy-1-benzofuran-2-carboxamide

N-(2-amino-5-thiophen-2-ylphenyl)-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 59736915) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(2-amino-5-thiophen-2-ylphenyl)-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-thiophen-2-ylphenyl)-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID59736915
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cc(-c4cccs4)ccc3N)oc12
InChIInChI=1S/C20H16N2O3S/c1-24-16-5-2-4-13-11-17(25-19(13)16)20(23)22-15-10-12(7-8-14(15)21)18-6-3-9-26-18/h2-11H,21H2,1H3,(H,22,23)
InChIKeyRSQIRWXHBGFFCE-UHFFFAOYSA-N
XLogP5.00
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.43
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-amino-5-thiophen-2-ylphenyl)-7-methoxy-1-benzofuran-2-carboxamide (CID 59736915) is N-(2-amino-5-thiophen-2-ylphenyl)-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-thiophen-2-ylphenyl)-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-amino-5-thiophen-2-ylphenyl)-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)Nc3cc(-c4cccs4)ccc3N)oc12.
What is the InChIKey of N-(2-amino-5-thiophen-2-ylphenyl)-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is RSQIRWXHBGFFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-24-16-5-2-4-13-11-17(25-19(13)16)20(23)22-15-10-12(7-8-14(15)21)18-6-3-9-26-18/h2-11H,21H2,1H3,(H,22,23).
What are the key properties of N-(2-amino-5-thiophen-2-ylphenyl)-7-methoxy-1-benzofuran-2-carboxamide?
N-(2-amino-5-thiophen-2-ylphenyl)-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-thiophen-2-ylphenyl)-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 59736915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).