6-N-(1,2-diphenylethyl)-2-N-hydroxy-1-benzothiophene-2,6-dicarboxamide

C24H20N2O3S — CID 58968905

IUPAC6-N-(1,2-diphenylethyl)-2-N-hydroxy-1-benzothiophene-2,6-dicarboxamide
SMILESO=C(NC(Cc1ccccc1)c1ccccc1)c1ccc2cc(C(=O)NO)sc2c1
InChIInChI=1S/C24H20N2O3S/c27-23(19-12-11-18-14-22(24(28)26-29)30-21(18)15-19)25-20(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-12,14-15,20,29H,13H2,(H,25,27)(H,26,28)
InChIKeyKABOWTXMUMSIPT-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.73
Rot. Bonds6

About 6-N-(1,2-diphenylethyl)-2-N-hydroxy-1-benzothiophene-2,6-dicarboxamide

6-N-(1,2-diphenylethyl)-2-N-hydroxy-1-benzothiophene-2,6-dicarboxamide (PubChem CID 58968905) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is 6-N-(1,2-diphenylethyl)-2-N-hydroxy-1-benzothiophene-2,6-dicarboxamide.

Molecular Properties

Compound Name6-N-(1,2-diphenylethyl)-2-N-hydroxy-1-benzothiophene-2,6-dicarboxamide
PubChem CID58968905
Molecular FormulaC24H20N2O3S
Molecular Weight416.50 g/mol
Exact Mass416.12
IUPAC Name6-N-(1,2-diphenylethyl)-2-N-hydroxy-1-benzothiophene-2,6-dicarboxamide
SMILESO=C(NC(Cc1ccccc1)c1ccccc1)c1ccc2cc(C(=O)NO)sc2c1
InChIInChI=1S/C24H20N2O3S/c27-23(19-12-11-18-14-22(24(28)26-29)30-21(18)15-19)25-20(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-12,14-15,20,29H,13H2,(H,25,27)(H,26,28)
InChIKeyKABOWTXMUMSIPT-UHFFFAOYSA-N
XLogP4.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzothiophene-2-carbonylamino)-3-phenylpropanoic acid
CID 70557372
N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide
CID 27708301
5-N-(3,3-diphenylpropyl)-2-N-hydroxy-1-benzothiophene-2,5-dicarboxamide
CID 58968977
3-(benzenesulfonylmethyl)-N-(1,2-diphenylethyl)benzamide
CID 55773574
6-[(benzylsulfonylamino)methyl]-N-hydroxy-1-benzothiophene-2-carboxamide
CID 11326364
N-(1,2-diphenylethyl)-5-sulfamoylthiophene-3-carboxamide
CID 51270710
N-[(1R)-1,2-diphenylethyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 52529905
N-(1,2-diphenylethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 46564543
N-[(1S)-1,2-diphenylethyl]hydroxylamine
CID 163358827
N-(1,2-diphenylethyl)hydroxylamine
CID 82685199
3-(2-amino-2-oxoethoxy)-N-(1,2-diphenylethyl)benzamide
CID 134048589
1,2-diphenylethylurea
CID 2853470

Frequently Asked Questions

What is the IUPAC name of 6-N-(1,2-diphenylethyl)-2-N-hydroxy-1-benzothiophene-2,6-dicarboxamide?
The IUPAC name of 6-N-(1,2-diphenylethyl)-2-N-hydroxy-1-benzothiophene-2,6-dicarboxamide (CID 58968905) is 6-N-(1,2-diphenylethyl)-2-N-hydroxy-1-benzothiophene-2,6-dicarboxamide.
What is the SMILES notation for 6-N-(1,2-diphenylethyl)-2-N-hydroxy-1-benzothiophene-2,6-dicarboxamide?
The canonical SMILES for 6-N-(1,2-diphenylethyl)-2-N-hydroxy-1-benzothiophene-2,6-dicarboxamide is O=C(NC(Cc1ccccc1)c1ccccc1)c1ccc2cc(C(=O)NO)sc2c1.
What is the InChIKey of 6-N-(1,2-diphenylethyl)-2-N-hydroxy-1-benzothiophene-2,6-dicarboxamide?
The InChIKey is KABOWTXMUMSIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3S/c27-23(19-12-11-18-14-22(24(28)26-29)30-21(18)15-19)25-20(17-9-5-2-6-10-17)13-16-7-3-1-4-8-16/h1-12,14-15,20,29H,13H2,(H,25,27)(H,26,28).
What are the key properties of 6-N-(1,2-diphenylethyl)-2-N-hydroxy-1-benzothiophene-2,6-dicarboxamide?
6-N-(1,2-diphenylethyl)-2-N-hydroxy-1-benzothiophene-2,6-dicarboxamide has a molecular weight of 416.50 g/mol, XLogP of 4.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1,2-diphenylethyl)-2-N-hydroxy-1-benzothiophene-2,6-dicarboxamide is sourced from PubChem (CID 58968905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).