2-[5-methoxy-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide

C25H24N4O4S — CID 73354082

IUPAC2-[5-methoxy-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide
SMILESCOc1ccc2c(c1)c(/C=N/NS(=O)(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccccc1
InChIInChI=1S/C25H24N4O4S/c1-18-8-11-22(12-9-18)34(31,32)28-26-15-19-16-29(24-13-10-21(33-2)14-23(19)24)17-25(30)27-20-6-4-3-5-7-20/h3-16,28H,17H2,1-2H3,(H,27,30)/b26-15+
InChIKeyUJHXKEAQKOCCIX-CVKSISIWSA-N
MW476.56 g/mol
LogP3.91
Rot. Bonds8

About 2-[5-methoxy-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide

2-[5-methoxy-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide (PubChem CID 73354082) has the molecular formula C25H24N4O4S and a molecular weight of 476.56 g/mol. Its IUPAC name is 2-[5-methoxy-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-methoxy-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide
PubChem CID73354082
Molecular FormulaC25H24N4O4S
Molecular Weight476.56 g/mol
Exact Mass476.15
IUPAC Name2-[5-methoxy-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide
SMILESCOc1ccc2c(c1)c(/C=N/NS(=O)(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccccc1
InChIInChI=1S/C25H24N4O4S/c1-18-8-11-22(12-9-18)34(31,32)28-26-15-19-16-29(24-13-10-21(33-2)14-23(19)24)17-25(30)27-20-6-4-3-5-7-20/h3-16,28H,17H2,1-2H3,(H,27,30)/b26-15+
InChIKeyUJHXKEAQKOCCIX-CVKSISIWSA-N
XLogP3.91
TPSA101.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[5-methoxy-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-methoxy-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide (CID 73354082) is 2-[5-methoxy-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-methoxy-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-methoxy-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide is COc1ccc2c(c1)c(/C=N/NS(=O)(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[5-methoxy-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide?
The InChIKey is UJHXKEAQKOCCIX-CVKSISIWSA-N. The full InChI is InChI=1S/C25H24N4O4S/c1-18-8-11-22(12-9-18)34(31,32)28-26-15-19-16-29(24-13-10-21(33-2)14-23(19)24)17-25(30)27-20-6-4-3-5-7-20/h3-16,28H,17H2,1-2H3,(H,27,30)/b26-15+.
What are the key properties of 2-[5-methoxy-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide?
2-[5-methoxy-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide has a molecular weight of 476.56 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 73354082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).