2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide

C29H26ClN3O5S — CID 46501195

IUPAC2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
SMILESCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C29H26ClN3O5S/c1-37-28-18-10-8-16-26(28)33(39(35,36)24-13-3-2-4-14-24)20-29(34)32-31-19-22-11-6-9-17-27(22)38-21-23-12-5-7-15-25(23)30/h2-19H,20-21H2,1H3,(H,32,34)/b31-19+
InChIKeyJECDBAVYTLMMBY-ZCTHSVRISA-N
MW564.06 g/mol
LogP5.27
Rot. Bonds11

About 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide

2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide (PubChem CID 46501195) has the molecular formula C29H26ClN3O5S and a molecular weight of 564.06 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
PubChem CID46501195
Molecular FormulaC29H26ClN3O5S
Molecular Weight564.06 g/mol
Exact Mass563.13
IUPAC Name2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
SMILESCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C29H26ClN3O5S/c1-37-28-18-10-8-16-26(28)33(39(35,36)24-13-3-2-4-14-24)20-29(34)32-31-19-22-11-6-9-17-27(22)38-21-23-12-5-7-15-25(23)30/h2-19H,20-21H2,1H3,(H,32,34)/b31-19+
InChIKeyJECDBAVYTLMMBY-ZCTHSVRISA-N
XLogP5.27
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.06
LogP ≤ 55.27
H-Bond Donors ≤ 51
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-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126191405
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 124534881
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
CID 92644335
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]acetamide
CID 5116504
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28589358
N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
CID 126118158
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588796
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 28588593
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135951633
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[[4-(N-methylanilino)phenyl]methylideneamino]acetamide
CID 4663625
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 92644288
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
CID 126152599

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide (CID 46501195) is 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide is COc1ccccc1N(CC(=O)N/N=C/c1ccccc1OCc1ccccc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide?
The InChIKey is JECDBAVYTLMMBY-ZCTHSVRISA-N. The full InChI is InChI=1S/C29H26ClN3O5S/c1-37-28-18-10-8-16-26(28)33(39(35,36)24-13-3-2-4-14-24)20-29(34)32-31-19-22-11-6-9-17-27(22)38-21-23-12-5-7-15-25(23)30/h2-19H,20-21H2,1H3,(H,32,34)/b31-19+.
What are the key properties of 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide?
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide has a molecular weight of 564.06 g/mol, XLogP of 5.27, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 46501195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).