N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1-benzofuran-2-carboxamide;methanesulfonic acid

C24H23N3O6S — CID 71476314

IUPACN-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1-benzofuran-2-carboxamide;methanesulfonic acid
SMILESCS(=O)(=O)O.Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C23H19N3O3.CH4O3S/c24-18-6-2-3-7-19(18)26-22(27)16-11-9-15(10-12-16)14-25-23(28)21-13-17-5-1-4-8-20(17)29-21;1-5(2,3)4/h1-13H,14,24H2,(H,25,28)(H,26,27);1H3,(H,2,3,4)
InChIKeyHYLKABWCASBDRF-UHFFFAOYSA-N
MW481.53 g/mol
LogP3.70
Rot. Bonds5

About N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1-benzofuran-2-carboxamide;methanesulfonic acid

N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1-benzofuran-2-carboxamide;methanesulfonic acid (PubChem CID 71476314) has the molecular formula C24H23N3O6S and a molecular weight of 481.53 g/mol. Its IUPAC name is N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1-benzofuran-2-carboxamide;methanesulfonic acid.

Molecular Properties

Compound NameN-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1-benzofuran-2-carboxamide;methanesulfonic acid
PubChem CID71476314
Molecular FormulaC24H23N3O6S
Molecular Weight481.53 g/mol
Exact Mass481.13
IUPAC NameN-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1-benzofuran-2-carboxamide;methanesulfonic acid
SMILESCS(=O)(=O)O.Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C23H19N3O3.CH4O3S/c24-18-6-2-3-7-19(18)26-22(27)16-11-9-15(10-12-16)14-25-23(28)21-13-17-5-1-4-8-20(17)29-21;1-5(2,3)4/h1-13H,14,24H2,(H,25,28)(H,26,27);1H3,(H,2,3,4)
InChIKeyHYLKABWCASBDRF-UHFFFAOYSA-N
XLogP3.70
TPSA151.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 53.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1-benzofuran-2-carboxamide;methanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]furo[2,3-c]pyridine-2-carboxamide
CID 22668169
N-[(4-acetylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 20677387
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-N-methoxy-1-benzofuran-2-carboxamide
CID 87553933
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide
CID 22478639
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-5-(2-propoxyethyl)-1-benzofuran-2-carboxamide
CID 140557054
N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1-benzofuran-2-carboxamide
CID 137452341
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide
CID 141261205
N-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-(trifluoromethyl)-1-benzofuran-2-carboxamide
CID 68735071
N-(2-amino-5-fluorophenyl)-4-[3-(1-benzofuran-2-yl)-3-oxopropyl]benzamide
CID 160852320

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1-benzofuran-2-carboxamide;methanesulfonic acid?
The IUPAC name of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1-benzofuran-2-carboxamide;methanesulfonic acid (CID 71476314) is N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1-benzofuran-2-carboxamide;methanesulfonic acid.
What is the SMILES notation for N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1-benzofuran-2-carboxamide;methanesulfonic acid?
The canonical SMILES for N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1-benzofuran-2-carboxamide;methanesulfonic acid is CS(=O)(=O)O.Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1-benzofuran-2-carboxamide;methanesulfonic acid?
The InChIKey is HYLKABWCASBDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3.CH4O3S/c24-18-6-2-3-7-19(18)26-22(27)16-11-9-15(10-12-16)14-25-23(28)21-13-17-5-1-4-8-20(17)29-21;1-5(2,3)4/h1-13H,14,24H2,(H,25,28)(H,26,27);1H3,(H,2,3,4).
What are the key properties of N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1-benzofuran-2-carboxamide;methanesulfonic acid?
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1-benzofuran-2-carboxamide;methanesulfonic acid has a molecular weight of 481.53 g/mol, XLogP of 3.70, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1-benzofuran-2-carboxamide;methanesulfonic acid is sourced from PubChem (CID 71476314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).