2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide

C25H27N3O5S — CID 27088718

IUPAC2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C25H27N3O5S/c1-18-10-8-9-13-22(18)28(34(30,31)21-11-6-5-7-12-21)17-25(29)27-26-19(2)20-14-15-23(32-3)24(16-20)33-4/h5-16H,17H2,1-4H3,(H,27,29)/b26-19+
InChIKeyHIXPJNGRPQNYOZ-LGUFXXKBSA-N
MW481.57 g/mol
LogP3.75
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide

2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide (PubChem CID 27088718) has the molecular formula C25H27N3O5S and a molecular weight of 481.57 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
PubChem CID27088718
Molecular FormulaC25H27N3O5S
Molecular Weight481.57 g/mol
Exact Mass481.17
IUPAC Name2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C25H27N3O5S/c1-18-10-8-9-13-22(18)28(34(30,31)21-11-6-5-7-12-21)17-25(29)27-26-19(2)20-14-15-23(32-3)24(16-20)33-4/h5-16H,17H2,1-4H3,(H,27,29)/b26-19+
InChIKeyHIXPJNGRPQNYOZ-LGUFXXKBSA-N
XLogP3.75
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.57
LogP ≤ 53.75
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-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126033421
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
CID 28589215
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126124265
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 21212195
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-1-phenylethylideneamino]acetamide
CID 92644319
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 92684827
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 92684826
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 3111592
N-[1-(4-acetamidophenyl)ethylideneamino]-2-[N-(benzenesulfonyl)-2-ethoxyanilino]acetamide
CID 3594656
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 126148217
4-[[N-(benzenesulfonyl)-3-chloro-2-methylanilino]methyl]-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 98093167
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]acetamide
CID 126149335

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide (CID 27088718) is 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide is COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide?
The InChIKey is HIXPJNGRPQNYOZ-LGUFXXKBSA-N. The full InChI is InChI=1S/C25H27N3O5S/c1-18-10-8-9-13-22(18)28(34(30,31)21-11-6-5-7-12-21)17-25(29)27-26-19(2)20-14-15-23(32-3)24(16-20)33-4/h5-16H,17H2,1-4H3,(H,27,29)/b26-19+.
What are the key properties of 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide?
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide has a molecular weight of 481.57 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 27088718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).