2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

C23H24N4O5S — CID 6876718

IUPAC2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESCOc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C23H24N4O5S/c1-17-6-9-20(10-7-17)33(29,30)27(19-8-11-21(31-2)22(13-19)32-3)16-23(28)26-25-15-18-5-4-12-24-14-18/h4-15H,16H2,1-3H3,(H,26,28)/b25-15+
InChIKeyRSYAARWKJYADQE-MFKUBSTISA-N
MW468.54 g/mol
LogP2.75
Rot. Bonds9

About 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide

2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (PubChem CID 6876718) has the molecular formula C23H24N4O5S and a molecular weight of 468.54 g/mol. Its IUPAC name is 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
PubChem CID6876718
Molecular FormulaC23H24N4O5S
Molecular Weight468.54 g/mol
Exact Mass468.15
IUPAC Name2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
SMILESCOc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C23H24N4O5S/c1-17-6-9-20(10-7-17)33(29,30)27(19-8-11-21(31-2)22(13-19)32-3)16-23(28)26-25-15-18-5-4-12-24-14-18/h4-15H,16H2,1-3H3,(H,26,28)/b25-15+
InChIKeyRSYAARWKJYADQE-MFKUBSTISA-N
XLogP2.75
TPSA110.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Related Compounds

2-[(2,5-Dimethoxy-phenyl)-(toluene-4-sulfonyl)-amino]-N-pyridin-3-yl-acetamide
CID 1143318
2-{2,5-dimethoxy[(4-methylphenyl)sulfonyl]anilino}-N-(pyridin-4-ylmethyl)acetamide
CID 1000896
2-[(4-Ethoxy-phenyl)-(toluene-4-sulfonyl)-amino]-N-pyridin-3-yl-acetamide
CID 1085939
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-(2-pyridin-2-ylsulfanylethyl)acetamide
CID 5252965
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-pyridin-3-ylsulfonylanilino)acetamide
CID 5308819
2-[Benzenesulfonyl-(3,4-dimethoxy-phenyl)-amino]-N-pyridin-3-yl-acetamide
CID 2280503
N-(2,4-Dimethoxyphenyl)-N-({N'-[(E)-(pyridin-3-YL)methylidene]hydrazinecarbonyl}methyl)benzenesulfonamide
CID 6896200
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1016208
2-[(3,4-Dimethoxy-benzenesulfonyl)-p-tolyl-amino]-N-pyridin-4-ylmethyl-acetamide
CID 1107806
N~2~-[(3,4-dimethoxyphenyl)sulfonyl]-N~2~-(4-methylphenyl)-N-pyridin-3-ylglycinamide
CID 1107807
N-(4-methoxyphenyl)-N-{1-methyl-2-oxo-2-[(2E)-2-(pyridin-3-ylmethylene)hydrazino]ethyl}methanesulfonamide
CID 5341504
3-{4-[(3,4-Dimethoxyphenyl)sulfamoyl]phenyl]-1-(pyridin-3-ylmethyl)urea
CID 66611331

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide (CID 6876718) is 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is COc1ccc(N(CC(=O)N/N=C/c2cccnc2)S(=O)(=O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
The InChIKey is RSYAARWKJYADQE-MFKUBSTISA-N. The full InChI is InChI=1S/C23H24N4O5S/c1-17-6-9-20(10-7-17)33(29,30)27(19-8-11-21(31-2)22(13-19)32-3)16-23(28)26-25-15-18-5-4-12-24-14-18/h4-15H,16H2,1-3H3,(H,26,28)/b25-15+.
What are the key properties of 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide?
2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide has a molecular weight of 468.54 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 6876718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).