N-(5-benzamido-2-methylphenyl)-4-(2-sulfanylidene-1H-imidazol-3-yl)benzamide

C24H20N4O2S — CID 51120346

IUPACN-(5-benzamido-2-methylphenyl)-4-(2-sulfanylidene-1H-imidazol-3-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(-n2cc[nH]c2=S)cc1
InChIInChI=1S/C24H20N4O2S/c1-16-7-10-19(26-22(29)17-5-3-2-4-6-17)15-21(16)27-23(30)18-8-11-20(12-9-18)28-14-13-25-24(28)31/h2-15H,1H3,(H,25,31)(H,26,29)(H,27,30)
InChIKeyRCTHHRLFTYOTLR-UHFFFAOYSA-N
MW428.52 g/mol
LogP5.35
Rot. Bonds5

About N-(5-benzamido-2-methylphenyl)-4-(2-sulfanylidene-1H-imidazol-3-yl)benzamide

N-(5-benzamido-2-methylphenyl)-4-(2-sulfanylidene-1H-imidazol-3-yl)benzamide (PubChem CID 51120346) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is N-(5-benzamido-2-methylphenyl)-4-(2-sulfanylidene-1H-imidazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-benzamido-2-methylphenyl)-4-(2-sulfanylidene-1H-imidazol-3-yl)benzamide
PubChem CID51120346
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC NameN-(5-benzamido-2-methylphenyl)-4-(2-sulfanylidene-1H-imidazol-3-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(-n2cc[nH]c2=S)cc1
InChIInChI=1S/C24H20N4O2S/c1-16-7-10-19(26-22(29)17-5-3-2-4-6-17)15-21(16)27-23(30)18-8-11-20(12-9-18)28-14-13-25-24(28)31/h2-15H,1H3,(H,25,31)(H,26,29)(H,27,30)
InChIKeyRCTHHRLFTYOTLR-UHFFFAOYSA-N
XLogP5.35
TPSA78.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.52
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(5-benzamido-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 51120342
N-(5-benzamido-2-methylphenyl)-4-(chloromethyl)benzamide
CID 22291056
N-(3-benzamido-4-methylphenyl)pyridine-3-carboxamide
CID 6486649
N-[2-(5-benzamido-2-methylanilino)-2-oxoethyl]benzamide
CID 60518009
N-(3-acetamido-4-methylphenyl)-4-(phenylcarbamoylamino)benzamide
CID 55847462
N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]-2H-benzotriazole-5-carboxamide
CID 38781994
N-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide
CID 46478145
N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
CID 90130016
N-(4-benzamido-3-methylphenyl)-4-chlorobenzamide
CID 1365594
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
N-(5-acetamido-2-methylphenyl)-4-fluorobenzamide
CID 60764705
3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 55633368

Frequently Asked Questions

What is the IUPAC name of N-(5-benzamido-2-methylphenyl)-4-(2-sulfanylidene-1H-imidazol-3-yl)benzamide?
The IUPAC name of N-(5-benzamido-2-methylphenyl)-4-(2-sulfanylidene-1H-imidazol-3-yl)benzamide (CID 51120346) is N-(5-benzamido-2-methylphenyl)-4-(2-sulfanylidene-1H-imidazol-3-yl)benzamide.
What is the SMILES notation for N-(5-benzamido-2-methylphenyl)-4-(2-sulfanylidene-1H-imidazol-3-yl)benzamide?
The canonical SMILES for N-(5-benzamido-2-methylphenyl)-4-(2-sulfanylidene-1H-imidazol-3-yl)benzamide is Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(-n2cc[nH]c2=S)cc1.
What is the InChIKey of N-(5-benzamido-2-methylphenyl)-4-(2-sulfanylidene-1H-imidazol-3-yl)benzamide?
The InChIKey is RCTHHRLFTYOTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c1-16-7-10-19(26-22(29)17-5-3-2-4-6-17)15-21(16)27-23(30)18-8-11-20(12-9-18)28-14-13-25-24(28)31/h2-15H,1H3,(H,25,31)(H,26,29)(H,27,30).
What are the key properties of N-(5-benzamido-2-methylphenyl)-4-(2-sulfanylidene-1H-imidazol-3-yl)benzamide?
N-(5-benzamido-2-methylphenyl)-4-(2-sulfanylidene-1H-imidazol-3-yl)benzamide has a molecular weight of 428.52 g/mol, XLogP of 5.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzamido-2-methylphenyl)-4-(2-sulfanylidene-1H-imidazol-3-yl)benzamide is sourced from PubChem (CID 51120346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).