2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide

C23H23N3O5S — CID 6896036

IUPAC2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(N(CC(=O)N/N=C/c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O5S/c1-30-20-14-12-19(13-15-20)26(32(28,29)21-9-4-3-5-10-21)17-23(27)25-24-16-18-8-6-7-11-22(18)31-2/h3-16H,17H2,1-2H3,(H,25,27)/b24-16+
InChIKeySWRSVGQUNPLKDV-LFVJCYFKSA-N
MW453.52 g/mol
LogP3.05
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide (PubChem CID 6896036) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
PubChem CID6896036
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(N(CC(=O)N/N=C/c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O5S/c1-30-20-14-12-19(13-15-20)26(32(28,29)21-9-4-3-5-10-21)17-23(27)25-24-16-18-8-6-7-11-22(18)31-2/h3-16H,17H2,1-2H3,(H,25,27)/b24-16+
InChIKeySWRSVGQUNPLKDV-LFVJCYFKSA-N
XLogP3.05
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.05
H-Bond Donors ≤ 51
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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Related Compounds

N-(4-Ethoxyphenyl)-N-({N'-[(E)-[4-(propan-2-yloxy)phenyl]methylidene]hydrazinecarbonyl}methyl)methanesulfonamide
CID 9668628
N-(4-((2-(4-Methoxybenzylidene)hydrazino)sulfonyl)phenyl)acetamide
CID 6473971
N-(4-chlorophenyl)-4-ethoxy-N-{2-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-2-oxoethyl}benzenesulfonamide
CID 135438560
4-ethoxy-N-{2-[2-(2-hydroxybenzylidene)hydrazino]-2-oxoethyl}-N-(4-methylphenyl)benzenesulfonamide
CID 135475964
N-[(2-Methoxyphenyl)methyl]-2-[N-(4-methylphenyl)4-methoxybenzenesulfonamido]acetamide
CID 1324421
N-[(N'-Cyclopentylidenehydrazinecarbonyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2850045
2-[(4-Methoxy-phenyl)-(toluene-4-sulfonyl)-amino]-N-(1-phenyl-ethyl)-acetamide
CID 3138984
2-(dibenzylamino)-N-(4-methoxy-3-sulfamoylphenyl)acetamide
CID 4967425
N-(4-methoxyphenyl)-N-{2-oxo-2-[(2E)-2-(thien-2-ylmethylene)hydrazino]ethyl}benzenesulfonamide
CID 5334442
N-{1-[(2E)-2-(3,4-dimethoxybenzylidene)hydrazinyl]-1-oxopropan-2-yl}-N-(4-methoxyphenyl)methanesulfonamide (non-preferred name)
CID 5335550
N-(4-Methoxyphenyl)-N-(1-{N'-[(E)-(4-methoxyphenyl)methylidene]hydrazinecarbonyl}ethyl)methanesulfonamide
CID 5335586
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
CID 5340391

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide (CID 6896036) is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide is COc1ccc(N(CC(=O)N/N=C/c2ccccc2OC)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is SWRSVGQUNPLKDV-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-30-20-14-12-19(13-15-20)26(32(28,29)21-9-4-3-5-10-21)17-23(27)25-24-16-18-8-6-7-11-22(18)31-2/h3-16H,17H2,1-2H3,(H,25,27)/b24-16+.
What are the key properties of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide?
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 453.52 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6896036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).