2-[(4-methylphenyl)sulfonylamino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide

C19H23N3O6S — CID 6874302

IUPAC2-[(4-methylphenyl)sulfonylamino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C19H23N3O6S/c1-13-5-7-15(8-6-13)29(24,25)21-12-18(23)22-20-11-14-9-16(26-2)19(28-4)17(10-14)27-3/h5-11,21H,12H2,1-4H3,(H,22,23)/b20-11+
InChIKeyDIWDDRYIYCMDLV-RGVLZGJSSA-N
MW421.48 g/mol
LogP1.45
Rot. Bonds9

About 2-[(4-methylphenyl)sulfonylamino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide

2-[(4-methylphenyl)sulfonylamino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide (PubChem CID 6874302) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
PubChem CID6874302
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1cc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C19H23N3O6S/c1-13-5-7-15(8-6-13)29(24,25)21-12-18(23)22-20-11-14-9-16(26-2)19(28-4)17(10-14)27-3/h5-11,21H,12H2,1-4H3,(H,22,23)/b20-11+
InChIKeyDIWDDRYIYCMDLV-RGVLZGJSSA-N
XLogP1.45
TPSA115.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(1E)-2-(2,3-dimethoxyphenyl)-1-azavinyl]-2-[methyl(phenylsulfonyl)amino]ace tamide
CID 45374832
2-(2-methoxyphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 56669773
2-(4-phenylphenyl)sulfanyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 56683226
N-{2-[2-(4-methoxybenzylidene)hydrazino]-2-oxoethyl}-4-methylbenzenesulfonamide
CID 6083747
N'-[(Z)-(3,4,5-trimethoxyphenyl)methylidene]benzenesulfonohydrazide
CID 5442488
[2-methoxy-4-[(E)-(methoxycarbonylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate
CID 6906936
3,4,5-Trimethoxybenzaldehyde (1,1-dioxido-1,2-benzisothiazol-3-yl)hydrazone
CID 9643551
N-[(1E)-2-(4-methoxyphenyl)-1-azavinyl]-2-[(phenylsulfonyl)amino]acetamide
CID 45923777
(E)-3-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]prop-2-enamide
CID 19166546
4-hydroxy-1,1-dioxo-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-2H-1lambda6,2-benzothiazine-3-carboxamide
CID 54729979
N'~1~,N'~2~-bis[(E)-(3,4,5-trimethoxyphenyl)methylidene]ethanedihydrazide
CID 9554294
N-(2-(2-(3-Ethoxy-4-hydroxybenzylidene)hydrazino)-2-oxoethyl)benzenesulfonamide
CID 135822348

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide (CID 6874302) is 2-[(4-methylphenyl)sulfonylamino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide is COc1cc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is DIWDDRYIYCMDLV-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-13-5-7-15(8-6-13)29(24,25)21-12-18(23)22-20-11-14-9-16(26-2)19(28-4)17(10-14)27-3/h5-11,21H,12H2,1-4H3,(H,22,23)/b20-11+.
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide?
2-[(4-methylphenyl)sulfonylamino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 421.48 g/mol, XLogP of 1.45, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6874302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).