2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(2,3,4-trimethoxyphenyl)methylideneamino]acetamide

C21H27N3O8S — CID 4574084

IUPAC2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NN=Cc2ccc(OC)c(OC)c2OC)c1
InChIInChI=1S/C21H27N3O8S/c1-24(33(26,27)18-11-15(28-2)8-10-16(18)29-3)13-19(25)23-22-12-14-7-9-17(30-4)21(32-6)20(14)31-5/h7-12H,13H2,1-6H3,(H,23,25)
InChIKeyWYCUEDPJKQDBCM-UHFFFAOYSA-N
MW481.53 g/mol
LogP1.50
Rot. Bonds11

About 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(2,3,4-trimethoxyphenyl)methylideneamino]acetamide

2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(2,3,4-trimethoxyphenyl)methylideneamino]acetamide (PubChem CID 4574084) has the molecular formula C21H27N3O8S and a molecular weight of 481.53 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(2,3,4-trimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
PubChem CID4574084
Molecular FormulaC21H27N3O8S
Molecular Weight481.53 g/mol
Exact Mass481.15
IUPAC Name2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NN=Cc2ccc(OC)c(OC)c2OC)c1
InChIInChI=1S/C21H27N3O8S/c1-24(33(26,27)18-11-15(28-2)8-10-16(18)29-3)13-19(25)23-22-12-14-7-9-17(30-4)21(32-6)20(14)31-5/h7-12H,13H2,1-6H3,(H,23,25)
InChIKeyWYCUEDPJKQDBCM-UHFFFAOYSA-N
XLogP1.50
TPSA124.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-[(2,4-dichlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 4203841
N-[(2-chlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 4261913
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 3301873
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135598985
N-[(2,3-dichlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 5042853
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 92511415
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 92513080
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide
CID 92959555
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 93032624
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 6175757
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 27001573
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 5031717

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(2,3,4-trimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(2,3,4-trimethoxyphenyl)methylideneamino]acetamide (CID 4574084) is 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(2,3,4-trimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(2,3,4-trimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(2,3,4-trimethoxyphenyl)methylideneamino]acetamide is COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)NN=Cc2ccc(OC)c(OC)c2OC)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(2,3,4-trimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is WYCUEDPJKQDBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O8S/c1-24(33(26,27)18-11-15(28-2)8-10-16(18)29-3)13-19(25)23-22-12-14-7-9-17(30-4)21(32-6)20(14)31-5/h7-12H,13H2,1-6H3,(H,23,25).
What are the key properties of 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(2,3,4-trimethoxyphenyl)methylideneamino]acetamide?
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(2,3,4-trimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 481.53 g/mol, XLogP of 1.50, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(2,3,4-trimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 4574084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).