2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide

C24H22N4O3S — CID 6890860

IUPAC2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H22N4O3S/c1-18-11-13-21(14-12-18)32(30,31)27-25-15-19-16-28(23-10-6-5-9-22(19)23)17-24(29)26-20-7-3-2-4-8-20/h2-16,27H,17H2,1H3,(H,26,29)/b25-15+
InChIKeyHBALBMFEZWSBHL-MFKUBSTISA-N
MW446.53 g/mol
LogP3.90
Rot. Bonds7

About 2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide

2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide (PubChem CID 6890860) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide
PubChem CID6890860
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide
SMILESCc1ccc(S(=O)(=O)N/N=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H22N4O3S/c1-18-11-13-21(14-12-18)32(30,31)27-25-15-19-16-28(23-10-6-5-9-22(19)23)17-24(29)26-20-7-3-2-4-8-20/h2-16,27H,17H2,1H3,(H,26,29)/b25-15+
InChIKeyHBALBMFEZWSBHL-MFKUBSTISA-N
XLogP3.90
TPSA92.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide (CID 6890860) is 2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide is Cc1ccc(S(=O)(=O)N/N=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide?
The InChIKey is HBALBMFEZWSBHL-MFKUBSTISA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-18-11-13-21(14-12-18)32(30,31)27-25-15-19-16-28(23-10-6-5-9-22(19)23)17-24(29)26-20-7-3-2-4-8-20/h2-16,27H,17H2,1H3,(H,26,29)/b25-15+.
What are the key properties of 2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide?
2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide has a molecular weight of 446.53 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 6890860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).