N-[(E)-(3-bromophenyl)methylideneamino]-2-[cyclohexyl(methylsulfonyl)amino]acetamide

C16H22BrN3O3S — CID 124553692

IUPACN-[(E)-(3-bromophenyl)methylideneamino]-2-[cyclohexyl(methylsulfonyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C16H22BrN3O3S/c1-24(22,23)20(15-8-3-2-4-9-15)12-16(21)19-18-11-13-6-5-7-14(17)10-13/h5-7,10-11,15H,2-4,8-9,12H2,1H3,(H,19,21)/b18-11+
InChIKeyYXAFPYXOFOHHCJ-WOJGMQOQSA-N
MW416.34 g/mol
LogP2.49
Rot. Bonds6

About N-[(E)-(3-bromophenyl)methylideneamino]-2-[cyclohexyl(methylsulfonyl)amino]acetamide

N-[(E)-(3-bromophenyl)methylideneamino]-2-[cyclohexyl(methylsulfonyl)amino]acetamide (PubChem CID 124553692) has the molecular formula C16H22BrN3O3S and a molecular weight of 416.34 g/mol. Its IUPAC name is N-[(E)-(3-bromophenyl)methylideneamino]-2-[cyclohexyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(E)-(3-bromophenyl)methylideneamino]-2-[cyclohexyl(methylsulfonyl)amino]acetamide
PubChem CID124553692
Molecular FormulaC16H22BrN3O3S
Molecular Weight416.34 g/mol
Exact Mass415.06
IUPAC NameN-[(E)-(3-bromophenyl)methylideneamino]-2-[cyclohexyl(methylsulfonyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C16H22BrN3O3S/c1-24(22,23)20(15-8-3-2-4-9-15)12-16(21)19-18-11-13-6-5-7-14(17)10-13/h5-7,10-11,15H,2-4,8-9,12H2,1H3,(H,19,21)/b18-11+
InChIKeyYXAFPYXOFOHHCJ-WOJGMQOQSA-N
XLogP2.49
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.34
LogP ≤ 52.49
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-[cyclohexyl(methylsulfonyl)amino]-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 124551357
methyl 4-[[[2-[cyclohexyl(methylsulfonyl)amino]acetyl]hydrazinylidene]methyl]benzoate
CID 3956165
N'-[(E)-(3-bromophenyl)methylideneamino]-N-cyclohexylpropanediamide
CID 21211606
2-(azepan-1-yl)-N-[(3-bromophenyl)methylideneamino]acetamide
CID 791925
N,N'-bis[(E)-(3-bromophenyl)methylideneamino]propanediamide
CID 6894427
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide
CID 124550969
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135580382
N,N'-bis[(3-bromophenyl)methylideneamino]butanediamide
CID 3105341
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 6178901
2-(3-bromo-N-methylsulfonylanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 28589140
N-[(E)-(3-bromophenyl)methylideneamino]-2-hydroxyacetamide
CID 5334797
2-(3-bromo-N-methylsulfonylanilino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 28589191

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-[(E)-(3-bromophenyl)methylideneamino]-2-[cyclohexyl(methylsulfonyl)amino]acetamide (CID 124553692) is N-[(E)-(3-bromophenyl)methylideneamino]-2-[cyclohexyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(E)-(3-bromophenyl)methylideneamino]-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(E)-(3-bromophenyl)methylideneamino]-2-[cyclohexyl(methylsulfonyl)amino]acetamide is CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(Br)c1)C1CCCCC1.
What is the InChIKey of N-[(E)-(3-bromophenyl)methylideneamino]-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
The InChIKey is YXAFPYXOFOHHCJ-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H22BrN3O3S/c1-24(22,23)20(15-8-3-2-4-9-15)12-16(21)19-18-11-13-6-5-7-14(17)10-13/h5-7,10-11,15H,2-4,8-9,12H2,1H3,(H,19,21)/b18-11+.
What are the key properties of N-[(E)-(3-bromophenyl)methylideneamino]-2-[cyclohexyl(methylsulfonyl)amino]acetamide?
N-[(E)-(3-bromophenyl)methylideneamino]-2-[cyclohexyl(methylsulfonyl)amino]acetamide has a molecular weight of 416.34 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-bromophenyl)methylideneamino]-2-[cyclohexyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 124553692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).