N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C26H29N3O5S — CID 126153930

IUPACN-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCOc1cc(/C=N\NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)ccc1OCc1ccccc1
InChIInChI=1S/C26H29N3O5S/c1-18-12-19(2)26(20(3)13-18)35(31,32)28-16-25(30)29-27-15-22-10-11-23(24(14-22)33-4)34-17-21-8-6-5-7-9-21/h5-15,28H,16-17H2,1-4H3,(H,29,30)/b27-15-
InChIKeyZAAUUGQYDSKHCD-DICXZTSXSA-N
MW495.60 g/mol
LogP3.63
Rot. Bonds10

About N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide

N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 126153930) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID126153930
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCOc1cc(/C=N\NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)ccc1OCc1ccccc1
InChIInChI=1S/C26H29N3O5S/c1-18-12-19(2)26(20(3)13-18)35(31,32)28-16-25(30)29-27-15-22-10-11-23(24(14-22)33-4)34-17-21-8-6-5-7-9-21/h5-15,28H,16-17H2,1-4H3,(H,29,30)/b27-15-
InChIKeyZAAUUGQYDSKHCD-DICXZTSXSA-N
XLogP3.63
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.63
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

2-(benzenesulfonamido)-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 92534256
2-(2,6-dimethylanilino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3726528
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 126155696
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 6876830
ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate
CID 6902439
2-(2-tert-butyl-4-methylphenoxy)-N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19169677
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylacetamide
CID 3561561
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3959802
4-chloro-N-[2-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3285591
N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 5430728
4-(4-chloro-2-methylphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]butanamide
CID 4176982
N-[2-[2-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 3438139

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 126153930) is N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide is COc1cc(/C=N\NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)ccc1OCc1ccccc1.
What is the InChIKey of N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is ZAAUUGQYDSKHCD-DICXZTSXSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-18-12-19(2)26(20(3)13-18)35(31,32)28-16-25(30)29-27-15-22-10-11-23(24(14-22)33-4)34-17-21-8-6-5-7-9-21/h5-15,28H,16-17H2,1-4H3,(H,29,30)/b27-15-.
What are the key properties of N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 495.60 g/mol, XLogP of 3.63, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 126153930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).