5-N-(3,3-diphenylpropyl)-2-N-hydroxy-1-benzothiophene-2,5-dicarboxamide

C25H22N2O3S — CID 58968977

IUPAC5-N-(3,3-diphenylpropyl)-2-N-hydroxy-1-benzothiophene-2,5-dicarboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1ccc2sc(C(=O)NO)cc2c1
InChIInChI=1S/C25H22N2O3S/c28-24(19-11-12-22-20(15-19)16-23(31-22)25(29)27-30)26-14-13-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15-16,21,30H,13-14H2,(H,26,28)(H,27,29)
InChIKeyPQDWKEYTSDLHPF-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.97
Rot. Bonds7

About 5-N-(3,3-diphenylpropyl)-2-N-hydroxy-1-benzothiophene-2,5-dicarboxamide

5-N-(3,3-diphenylpropyl)-2-N-hydroxy-1-benzothiophene-2,5-dicarboxamide (PubChem CID 58968977) has the molecular formula C25H22N2O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is 5-N-(3,3-diphenylpropyl)-2-N-hydroxy-1-benzothiophene-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3,3-diphenylpropyl)-2-N-hydroxy-1-benzothiophene-2,5-dicarboxamide
PubChem CID58968977
Molecular FormulaC25H22N2O3S
Molecular Weight430.53 g/mol
Exact Mass430.14
IUPAC Name5-N-(3,3-diphenylpropyl)-2-N-hydroxy-1-benzothiophene-2,5-dicarboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1ccc2sc(C(=O)NO)cc2c1
InChIInChI=1S/C25H22N2O3S/c28-24(19-11-12-22-20(15-19)16-23(31-22)25(29)27-30)26-14-13-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15-16,21,30H,13-14H2,(H,26,28)(H,27,29)
InChIKeyPQDWKEYTSDLHPF-UHFFFAOYSA-N
XLogP4.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.97
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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Frequently Asked Questions

What is the IUPAC name of 5-N-(3,3-diphenylpropyl)-2-N-hydroxy-1-benzothiophene-2,5-dicarboxamide?
The IUPAC name of 5-N-(3,3-diphenylpropyl)-2-N-hydroxy-1-benzothiophene-2,5-dicarboxamide (CID 58968977) is 5-N-(3,3-diphenylpropyl)-2-N-hydroxy-1-benzothiophene-2,5-dicarboxamide.
What is the SMILES notation for 5-N-(3,3-diphenylpropyl)-2-N-hydroxy-1-benzothiophene-2,5-dicarboxamide?
The canonical SMILES for 5-N-(3,3-diphenylpropyl)-2-N-hydroxy-1-benzothiophene-2,5-dicarboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc2sc(C(=O)NO)cc2c1.
What is the InChIKey of 5-N-(3,3-diphenylpropyl)-2-N-hydroxy-1-benzothiophene-2,5-dicarboxamide?
The InChIKey is PQDWKEYTSDLHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3S/c28-24(19-11-12-22-20(15-19)16-23(31-22)25(29)27-30)26-14-13-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-12,15-16,21,30H,13-14H2,(H,26,28)(H,27,29).
What are the key properties of 5-N-(3,3-diphenylpropyl)-2-N-hydroxy-1-benzothiophene-2,5-dicarboxamide?
5-N-(3,3-diphenylpropyl)-2-N-hydroxy-1-benzothiophene-2,5-dicarboxamide has a molecular weight of 430.53 g/mol, XLogP of 4.97, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,3-diphenylpropyl)-2-N-hydroxy-1-benzothiophene-2,5-dicarboxamide is sourced from PubChem (CID 58968977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).