N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide

C22H21N3O4S — CID 6381588

IUPACN-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(/C(C)=N\NS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H21N3O4S/c1-16(24-25-30(27,28)21-6-4-3-5-7-21)17-8-12-19(13-9-17)23-22(26)18-10-14-20(29-2)15-11-18/h3-15,25H,1-2H3,(H,23,26)/b24-16-
InChIKeyZMFFABGOPDIWPF-JLPGSUDCSA-N
MW423.49 g/mol
LogP3.65
Rot. Bonds7

About N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide

N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide (PubChem CID 6381588) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide
PubChem CID6381588
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC NameN-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(/C(C)=N\NS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C22H21N3O4S/c1-16(24-25-30(27,28)21-6-4-3-5-7-21)17-8-12-19(13-9-17)23-22(26)18-10-14-20(29-2)15-11-18/h3-15,25H,1-2H3,(H,23,26)/b24-16-
InChIKeyZMFFABGOPDIWPF-JLPGSUDCSA-N
XLogP3.65
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
4-tert-butyl-N-[4-[(Z)-N-[(2,5-dimethoxyphenyl)sulfonylamino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 23100951
N-[4-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-2-(4-chlorophenoxy)acetamide
CID 1004876
N-[3-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide
CID 1009138
4-chloro-N-[4-[(Z)-C-methyl-N-[(4-methylphenyl)sulfonylamino]carbonimidoyl]phenyl]benzamide
CID 6287230
N-[1-(4-phenylphenyl)ethylideneamino]benzenesulfonamide
CID 4640439
4-[4-(benzylsulfamoyl)phenyl]-N-(4-methoxyphenyl)benzamide
CID 46385858
4-[benzenesulfonyl(methyl)amino]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43882282
N-[1-(4-tert-butylphenyl)ethylideneamino]benzenesulfonamide
CID 3418531
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4633062
N-[1-(4-bromophenyl)ethylideneamino]benzenesulfonamide
CID 5000888

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide (CID 6381588) is N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(/C(C)=N\NS(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide?
The InChIKey is ZMFFABGOPDIWPF-JLPGSUDCSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-16(24-25-30(27,28)21-6-4-3-5-7-21)17-8-12-19(13-9-17)23-22(26)18-10-14-20(29-2)15-11-18/h3-15,25H,1-2H3,(H,23,26)/b24-16-.
What are the key properties of N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide?
N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide has a molecular weight of 423.49 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 6381588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).