2-[N-(benzenesulfonyl)-2-formyl-5-methoxyanilino]-N-pyridin-3-ylacetamide

C21H19N3O5S — CID 129225457

IUPAC2-[N-(benzenesulfonyl)-2-formyl-5-methoxyanilino]-N-pyridin-3-ylacetamide
SMILESCOc1ccc(C=O)c(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H19N3O5S/c1-29-18-10-9-16(15-25)20(12-18)24(30(27,28)19-7-3-2-4-8-19)14-21(26)23-17-6-5-11-22-13-17/h2-13,15H,14H2,1H3,(H,23,26)
InChIKeyPFTFLODEQBBCRH-UHFFFAOYSA-N
MW425.47 g/mol
LogP2.74
Rot. Bonds8

About 2-[N-(benzenesulfonyl)-2-formyl-5-methoxyanilino]-N-pyridin-3-ylacetamide

2-[N-(benzenesulfonyl)-2-formyl-5-methoxyanilino]-N-pyridin-3-ylacetamide (PubChem CID 129225457) has the molecular formula C21H19N3O5S and a molecular weight of 425.47 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-formyl-5-methoxyanilino]-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-formyl-5-methoxyanilino]-N-pyridin-3-ylacetamide
PubChem CID129225457
Molecular FormulaC21H19N3O5S
Molecular Weight425.47 g/mol
Exact Mass425.10
IUPAC Name2-[N-(benzenesulfonyl)-2-formyl-5-methoxyanilino]-N-pyridin-3-ylacetamide
SMILESCOc1ccc(C=O)c(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H19N3O5S/c1-29-18-10-9-16(15-25)20(12-18)24(30(27,28)19-7-3-2-4-8-19)14-21(26)23-17-6-5-11-22-13-17/h2-13,15H,14H2,1H3,(H,23,26)
InChIKeyPFTFLODEQBBCRH-UHFFFAOYSA-N
XLogP2.74
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-pyridin-3-ylacetamide
CID 1148684
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 43909462
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[4-(pyridin-3-ylsulfamoyl)phenyl]acetamide
CID 43907781
2-(2,5-dimethoxy-N-(3-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide;2-(2,5-dimethyl-N-(2-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide;2-(2,5-dimethyl-N-(3-methylphenyl)sulfonylanilino)-N-pyridin-3-ylacetamide;2-(N-(4-methoxyphenyl)sulfonyl-2,5-dimethylanilino)-N-pyridin-3-ylacetamide
CID 161449496
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-pyridin-3-ylacetamide
CID 51345036
2-(2,5-dimethoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-pyridin-4-ylacetamide
CID 90051595
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(3-methoxyphenyl)acetamide
CID 1318772
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(3-methoxyphenyl)acetamide
CID 1338919
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-(2-fluorophenyl)acetamide
CID 1072216
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-pyridin-3-ylacetamide
CID 1000621
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-(3,4-dimethylphenyl)acetamide
CID 2890006
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(3-methoxyphenyl)acetamide
CID 30170103

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-formyl-5-methoxyanilino]-N-pyridin-3-ylacetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-formyl-5-methoxyanilino]-N-pyridin-3-ylacetamide (CID 129225457) is 2-[N-(benzenesulfonyl)-2-formyl-5-methoxyanilino]-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-formyl-5-methoxyanilino]-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-formyl-5-methoxyanilino]-N-pyridin-3-ylacetamide is COc1ccc(C=O)c(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-formyl-5-methoxyanilino]-N-pyridin-3-ylacetamide?
The InChIKey is PFTFLODEQBBCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5S/c1-29-18-10-9-16(15-25)20(12-18)24(30(27,28)19-7-3-2-4-8-19)14-21(26)23-17-6-5-11-22-13-17/h2-13,15H,14H2,1H3,(H,23,26).
What are the key properties of 2-[N-(benzenesulfonyl)-2-formyl-5-methoxyanilino]-N-pyridin-3-ylacetamide?
2-[N-(benzenesulfonyl)-2-formyl-5-methoxyanilino]-N-pyridin-3-ylacetamide has a molecular weight of 425.47 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-formyl-5-methoxyanilino]-N-pyridin-3-ylacetamide is sourced from PubChem (CID 129225457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).