2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide

C25H27N3O6S — CID 3879927

IUPAC2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccccc2O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C25H27N3O6S/c1-17-9-11-19(12-10-17)28(35(31,32)20-13-14-23(33-3)24(15-20)34-4)16-25(30)27-26-18(2)21-7-5-6-8-22(21)29/h5-15,29H,16H2,1-4H3,(H,27,30)
InChIKeyBQZOVGKKLAQDTK-UHFFFAOYSA-N
MW497.57 g/mol
LogP3.45
Rot. Bonds9

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

2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide (PubChem CID 3879927) has the molecular formula C25H27N3O6S and a molecular weight of 497.57 g/mol. Its IUPAC name is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
PubChem CID3879927
Molecular FormulaC25H27N3O6S
Molecular Weight497.57 g/mol
Exact Mass497.16
IUPAC Name2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccccc2O)c2ccc(C)cc2)cc1OC
InChIInChI=1S/C25H27N3O6S/c1-17-9-11-19(12-10-17)28(35(31,32)20-13-14-23(33-3)24(15-20)34-4)16-25(30)27-26-18(2)21-7-5-6-8-22(21)29/h5-15,29H,16H2,1-4H3,(H,27,30)
InChIKeyBQZOVGKKLAQDTK-UHFFFAOYSA-N
XLogP3.45
TPSA117.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 126136912
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 27046938
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126124265
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 137107847
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 137044533
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 126148217
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 137107675
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 1118203
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 126122657
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 2260743
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 3943441
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(1-phenylethyl)acetamide
CID 3136595

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide (CID 3879927) is 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NN=C(C)c2ccccc2O)c2ccc(C)cc2)cc1OC.
What is the InChIKey of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The InChIKey is BQZOVGKKLAQDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O6S/c1-17-9-11-19(12-10-17)28(35(31,32)20-13-14-23(33-3)24(15-20)34-4)16-25(30)27-26-18(2)21-7-5-6-8-22(21)29/h5-15,29H,16H2,1-4H3,(H,27,30).
What are the key properties of 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide?
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide has a molecular weight of 497.57 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 3879927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).