N-[(E)-(2-bromophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide

C20H18BrN3O3S — CID 93050526

IUPACN-[(E)-(2-bromophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)N/N=C/c1ccccc1Br)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H18BrN3O3S/c1-24(14-20(25)23-22-13-17-8-4-5-9-19(17)21)28(26,27)18-11-10-15-6-2-3-7-16(15)12-18/h2-13H,14H2,1H3,(H,23,25)/b22-13+
InChIKeyVLICUJLDHMQCOF-LPYMAVHISA-N
MW460.35 g/mol
LogP3.37
Rot. Bonds6

About N-[(E)-(2-bromophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide

N-[(E)-(2-bromophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide (PubChem CID 93050526) has the molecular formula C20H18BrN3O3S and a molecular weight of 460.35 g/mol. Its IUPAC name is N-[(E)-(2-bromophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-bromophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
PubChem CID93050526
Molecular FormulaC20H18BrN3O3S
Molecular Weight460.35 g/mol
Exact Mass459.03
IUPAC NameN-[(E)-(2-bromophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
SMILESCN(CC(=O)N/N=C/c1ccccc1Br)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H18BrN3O3S/c1-24(14-20(25)23-22-13-17-8-4-5-9-19(17)21)28(26,27)18-11-10-15-6-2-3-7-16(15)12-18/h2-13H,14H2,1H3,(H,23,25)/b22-13+
InChIKeyVLICUJLDHMQCOF-LPYMAVHISA-N
XLogP3.37
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 3337037
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 92511368
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
CID 92513101
N-[(2-ethoxyphenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 5136428
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-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 92511418
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 92511415
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(pyridin-2-ylmethylideneamino)acetamide
CID 4041187
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 92511364
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
2-[(Z)-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 92511372

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-bromophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[(E)-(2-bromophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide (CID 93050526) is N-[(E)-(2-bromophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(E)-(2-bromophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(E)-(2-bromophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide is CN(CC(=O)N/N=C/c1ccccc1Br)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(E)-(2-bromophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
The InChIKey is VLICUJLDHMQCOF-LPYMAVHISA-N. The full InChI is InChI=1S/C20H18BrN3O3S/c1-24(14-20(25)23-22-13-17-8-4-5-9-19(17)21)28(26,27)18-11-10-15-6-2-3-7-16(15)12-18/h2-13H,14H2,1H3,(H,23,25)/b22-13+.
What are the key properties of N-[(E)-(2-bromophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide?
N-[(E)-(2-bromophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide has a molecular weight of 460.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-bromophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 93050526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).