2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide

C24H25N3O5S — CID 92961553

IUPAC2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C/c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H25N3O5S/c1-18-12-13-22(31-3)23(14-18)33(29,30)27(2)17-24(28)26-25-16-19-8-7-11-21(15-19)32-20-9-5-4-6-10-20/h4-16H,17H2,1-3H3,(H,26,28)/b25-16+
InChIKeyDIWVFVAWTVSVFY-PCLIKHOPSA-N
MW467.55 g/mol
LogP3.57
Rot. Bonds9

About 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide

2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide (PubChem CID 92961553) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
PubChem CID92961553
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C/c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C24H25N3O5S/c1-18-12-13-22(31-3)23(14-18)33(29,30)27(2)17-24(28)26-25-16-19-8-7-11-21(15-19)32-20-9-5-4-6-10-20/h4-16H,17H2,1-3H3,(H,26,28)/b25-16+
InChIKeyDIWVFVAWTVSVFY-PCLIKHOPSA-N
XLogP3.57
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.57
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-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 126372602
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(3-methylphenyl)methylideneamino]acetamide
CID 3251589
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 93032636
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 5031717
N-[(E)-(4-bromophenyl)methylideneamino]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 92929443
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4689190
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 4035968
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 3301873
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 92511340
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(E)-(3-fluorophenyl)methylideneamino]acetamide
CID 92959555
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[(3-methoxyphenyl)methylideneamino]acetamide
CID 4563517
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 126115890

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide (CID 92961553) is 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide is COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C/c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide?
The InChIKey is DIWVFVAWTVSVFY-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-18-12-13-22(31-3)23(14-18)33(29,30)27(2)17-24(28)26-25-16-19-8-7-11-21(15-19)32-20-9-5-4-6-10-20/h4-16H,17H2,1-3H3,(H,26,28)/b25-16+.
What are the key properties of 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide?
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide has a molecular weight of 467.55 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 92961553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).