(2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide

C24H21N3O5S — CID 6893574

IUPAC(2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3o/c2=N\NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H21N3O5S/c1-16-7-13-20(14-8-16)33(29,30)27-26-24-21(15-17-5-3-4-6-22(17)32-24)23(28)25-18-9-11-19(31-2)12-10-18/h3-15,27H,1-2H3,(H,25,28)/b26-24-
InChIKeyGDNRKNPIMVMPGJ-LCUIJRPUSA-N
MW463.52 g/mol
LogP3.80
Rot. Bonds6

About (2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide

(2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide (PubChem CID 6893574) has the molecular formula C24H21N3O5S and a molecular weight of 463.52 g/mol. Its IUPAC name is (2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide.

Molecular Properties

Compound Name(2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
PubChem CID6893574
Molecular FormulaC24H21N3O5S
Molecular Weight463.52 g/mol
Exact Mass463.12
IUPAC Name(2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3o/c2=N\NS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H21N3O5S/c1-16-7-13-20(14-8-16)33(29,30)27-26-24-21(15-17-5-3-4-6-22(17)32-24)23(28)25-18-9-11-19(31-2)12-10-18/h3-15,27H,1-2H3,(H,25,28)/b26-24-
InChIKeyGDNRKNPIMVMPGJ-LCUIJRPUSA-N
XLogP3.80
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(benzenesulfonylhydrazinylidene)-N-(4-methylphenyl)chromene-3-carboxamide
CID 6893580
(2Z)-N-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893622
(2Z)-N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893620
2-(benzenesulfonylhydrazinylidene)-N-phenylchromene-3-carboxamide
CID 2141222
(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 6893587
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 2136131
(2E)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 92666370
(2Z)-2-[(3,4-dimethylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 46257237
8-methoxy-2-[(4-methylphenyl)sulfonylhydrazinylidene]-N-phenylchromene-3-carboxamide
CID 2136071
(2Z)-8-methoxy-N-(3-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 6893598
2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(4-fluorophenyl)chromene-3-carboxamide
CID 2135926
N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide
CID 2135340

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide?
The IUPAC name of (2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide (CID 6893574) is (2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide.
What is the SMILES notation for (2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide?
The canonical SMILES for (2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide is COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\NS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of (2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide?
The InChIKey is GDNRKNPIMVMPGJ-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H21N3O5S/c1-16-7-13-20(14-8-16)33(29,30)27-26-24-21(15-17-5-3-4-6-22(17)32-24)23(28)25-18-9-11-19(31-2)12-10-18/h3-15,27H,1-2H3,(H,25,28)/b26-24-.
What are the key properties of (2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide?
(2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide has a molecular weight of 463.52 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylhydrazinylidene]chromene-3-carboxamide is sourced from PubChem (CID 6893574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).