N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide

C24H25N3O5S — CID 42991202

IUPACN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)c(OC)c1
InChIInChI=1S/C24H25N3O5S/c1-16-8-11-22(17(2)12-16)27-33(29,30)21-7-5-6-18(13-21)24(28)26-25-15-19-9-10-20(31-3)14-23(19)32-4/h5-15,27H,1-4H3,(H,26,28)/b25-15+
InChIKeyBGRVQTCDJMXVJV-MFKUBSTISA-N
MW467.55 g/mol
LogP3.89
Rot. Bonds8

About N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide

N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide (PubChem CID 42991202) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
PubChem CID42991202
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC NameN-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)c(OC)c1
InChIInChI=1S/C24H25N3O5S/c1-16-8-11-22(17(2)12-16)27-33(29,30)21-7-5-6-18(13-21)24(28)26-25-15-19-9-10-20(31-3)14-23(19)32-4/h5-15,27H,1-4H3,(H,26,28)/b25-15+
InChIKeyBGRVQTCDJMXVJV-MFKUBSTISA-N
XLogP3.89
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
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)-(2-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 6274738
N-[(4-bromophenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 3889183
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2589258
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 3652547
2-[2-[[[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 2325253
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065728
N-[(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 2592580
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3,4,5-trimethoxybenzamide
CID 6907854
3-acetamido-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 5404431
N-[(Z)-furan-2-ylmethylideneamino]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 7612588
3-[[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 24565267
N-[[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 2434148

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide (CID 42991202) is N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide is COc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)c(OC)c1.
What is the InChIKey of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
The InChIKey is BGRVQTCDJMXVJV-MFKUBSTISA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-16-8-11-22(17(2)12-16)27-33(29,30)21-7-5-6-18(13-21)24(28)26-25-15-19-9-10-20(31-3)14-23(19)32-4/h5-15,27H,1-4H3,(H,26,28)/b25-15+.
What are the key properties of N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide?
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide has a molecular weight of 467.55 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 42991202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).