(2E)-2-[(2,5-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(4-ethylphenyl)chromene-3-carboxamide

C26H25N3O6S — CID 92693533

IUPAC(2E)-2-[(2,5-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(4-ethylphenyl)chromene-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cc3ccccc3o/c2=N/NS(=O)(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C26H25N3O6S/c1-4-17-9-11-19(12-10-17)27-25(30)21-15-18-7-5-6-8-22(18)35-26(21)28-29-36(31,32)24-16-20(33-2)13-14-23(24)34-3/h5-16,29H,4H2,1-3H3,(H,27,30)/b28-26+
InChIKeyUVSJIQJNSFBHOQ-BYCLXTJYSA-N
MW507.57 g/mol
LogP4.06
Rot. Bonds8

About (2E)-2-[(2,5-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(4-ethylphenyl)chromene-3-carboxamide

(2E)-2-[(2,5-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(4-ethylphenyl)chromene-3-carboxamide (PubChem CID 92693533) has the molecular formula C26H25N3O6S and a molecular weight of 507.57 g/mol. Its IUPAC name is (2E)-2-[(2,5-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(4-ethylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name(2E)-2-[(2,5-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(4-ethylphenyl)chromene-3-carboxamide
PubChem CID92693533
Molecular FormulaC26H25N3O6S
Molecular Weight507.57 g/mol
Exact Mass507.15
IUPAC Name(2E)-2-[(2,5-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(4-ethylphenyl)chromene-3-carboxamide
SMILESCCc1ccc(NC(=O)c2cc3ccccc3o/c2=N/NS(=O)(=O)c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C26H25N3O6S/c1-4-17-9-11-19(12-10-17)27-25(30)21-15-18-7-5-6-8-22(18)35-26(21)28-29-36(31,32)24-16-20(33-2)13-14-23(24)34-3/h5-16,29H,4H2,1-3H3,(H,27,30)/b28-26+
InChIKeyUVSJIQJNSFBHOQ-BYCLXTJYSA-N
XLogP4.06
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.57
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893574
(2Z)-N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893620
(2Z)-N-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893622
(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 6893587
2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide
CID 2141222
(2Z)-2-(benzenesulfonylhydrazinylidene)-N-(4-methylphenyl)chromene-3-carboxamide
CID 6893580
2-(3-fluoro-4-methoxyphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368055
(2E)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 92666370
(2Z)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 46257237
(2Z)-2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-methylphenyl)chromene-3-carboxamide
CID 6893566
2-[(3,4-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(2-fluorophenyl)chromene-3-carboxamide
CID 2135536
2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide
CID 2135926

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2,5-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(4-ethylphenyl)chromene-3-carboxamide?
The IUPAC name of (2E)-2-[(2,5-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(4-ethylphenyl)chromene-3-carboxamide (CID 92693533) is (2E)-2-[(2,5-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(4-ethylphenyl)chromene-3-carboxamide.
What is the SMILES notation for (2E)-2-[(2,5-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(4-ethylphenyl)chromene-3-carboxamide?
The canonical SMILES for (2E)-2-[(2,5-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(4-ethylphenyl)chromene-3-carboxamide is CCc1ccc(NC(=O)c2cc3ccccc3o/c2=N/NS(=O)(=O)c2cc(OC)ccc2OC)cc1.
What is the InChIKey of (2E)-2-[(2,5-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(4-ethylphenyl)chromene-3-carboxamide?
The InChIKey is UVSJIQJNSFBHOQ-BYCLXTJYSA-N. The full InChI is InChI=1S/C26H25N3O6S/c1-4-17-9-11-19(12-10-17)27-25(30)21-15-18-7-5-6-8-22(18)35-26(21)28-29-36(31,32)24-16-20(33-2)13-14-23(24)34-3/h5-16,29H,4H2,1-3H3,(H,27,30)/b28-26+.
What are the key properties of (2E)-2-[(2,5-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(4-ethylphenyl)chromene-3-carboxamide?
(2E)-2-[(2,5-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(4-ethylphenyl)chromene-3-carboxamide has a molecular weight of 507.57 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2,5-dimethoxyphenyl)sulfonylhydrazinylidene]-N-(4-ethylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 92693533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).