N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

C24H24BrN3O3S — CID 126118556

IUPACN-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2Br)Cc2cccc(C)c2)cc1
InChIInChI=1S/C24H24BrN3O3S/c1-18-10-12-22(13-11-18)32(30,31)28(16-20-7-5-6-19(2)14-20)17-24(29)27-26-15-21-8-3-4-9-23(21)25/h3-15H,16-17H2,1-2H3,(H,27,29)/b26-15-
InChIKeyFMFKJASSSBEGGR-YSMPRRRNSA-N
MW514.45 g/mol
LogP4.41
Rot. Bonds8

About N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 126118556) has the molecular formula C24H24BrN3O3S and a molecular weight of 514.45 g/mol. Its IUPAC name is N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID126118556
Molecular FormulaC24H24BrN3O3S
Molecular Weight514.45 g/mol
Exact Mass513.07
IUPAC NameN-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2Br)Cc2cccc(C)c2)cc1
InChIInChI=1S/C24H24BrN3O3S/c1-18-10-12-22(13-11-18)32(30,31)28(16-20-7-5-6-19(2)14-20)17-24(29)27-26-15-21-8-3-4-9-23(21)25/h3-15H,16-17H2,1-2H3,(H,27,29)/b26-15-
InChIKeyFMFKJASSSBEGGR-YSMPRRRNSA-N
XLogP4.41
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.45
LogP ≤ 54.41
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

N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126128492
N-[(Z)-benzylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126073699
2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 137051503
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126126215
2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
CID 126075784
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(3-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 137168364
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 126069692
2-[(Z)-[[2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 126027579
2-[(3,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135588732
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
CID 94838048
N-[(E)-(2-bromophenyl)methylideneamino]-2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126374062
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126060509

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 126118556) is N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccccc2Br)Cc2cccc(C)c2)cc1.
What is the InChIKey of N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is FMFKJASSSBEGGR-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H24BrN3O3S/c1-18-10-12-22(13-11-18)32(30,31)28(16-20-7-5-6-19(2)14-20)17-24(29)27-26-15-21-8-3-4-9-23(21)25/h3-15H,16-17H2,1-2H3,(H,27,29)/b26-15-.
What are the key properties of N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 514.45 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 126118556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).