2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide

C23H25N3O6S — CID 92511415

IUPAC2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c(OC)c1OC
InChIInChI=1S/C23H25N3O6S/c1-26(33(28,29)19-11-9-16-7-5-6-8-17(16)13-19)15-21(27)25-24-14-18-10-12-20(30-2)23(32-4)22(18)31-3/h5-14H,15H2,1-4H3,(H,25,27)/b24-14+
InChIKeyWPTAIIDHGCGPDP-ZVHZXABRSA-N
MW471.54 g/mol
LogP2.64
Rot. Bonds9

About 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide

2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide (PubChem CID 92511415) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
PubChem CID92511415
Molecular FormulaC23H25N3O6S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC Name2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c(OC)c1OC
InChIInChI=1S/C23H25N3O6S/c1-26(33(28,29)19-11-9-16-7-5-6-8-17(16)13-19)15-21(27)25-24-14-18-10-12-20(30-2)23(32-4)22(18)31-3/h5-14H,15H2,1-4H3,(H,25,27)/b24-14+
InChIKeyWPTAIIDHGCGPDP-ZVHZXABRSA-N
XLogP2.64
TPSA106.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 92511418
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 92513080
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-[(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 4574084
2-[[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 3337037
2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 25162948
N-[(2-ethoxyphenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 5136428
N-[(E)-(2-bromophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 93050526
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 92511381
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 126126793
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 92511407
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 6142130
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 6175757

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide (CID 92511415) is 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide is COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c(OC)c1OC.
What is the InChIKey of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is WPTAIIDHGCGPDP-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H25N3O6S/c1-26(33(28,29)19-11-9-16-7-5-6-8-17(16)13-19)15-21(27)25-24-14-18-10-12-20(30-2)23(32-4)22(18)31-3/h5-14H,15H2,1-4H3,(H,25,27)/b24-14+.
What are the key properties of 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide?
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 471.54 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 92511415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).