N-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

C19H19N3OS — CID 856403

IUPACN-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)cc1C
InChIInChI=1S/C19H19N3OS/c1-13-8-9-16(10-14(13)2)21-18(23)12-24-19-20-11-17(22-19)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyQHLIMDAILGLSCR-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.42
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

N-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (PubChem CID 856403) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
PubChem CID856403
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
SMILESCc1ccc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)cc1C
InChIInChI=1S/C19H19N3OS/c1-13-8-9-16(10-14(13)2)21-18(23)12-24-19-20-11-17(22-19)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyQHLIMDAILGLSCR-UHFFFAOYSA-N
XLogP4.42
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16809577
N-(3-bromophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 15989788
N-(4-methylsulfonylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 35040321
N-(5-methyl-1,2-oxazol-3-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 1451049
N-(4-fluoro-3-nitrophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16896857
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 25495577
N-(3-acetamidophenyl)-2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 27736272
N-(4-chlorophenyl)-2-[[5-(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 1118769
N-(3-chloro-2-methylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16896869
N-(2,6-dichlorophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 40604658
N-(2-fluorophenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 1116757
N-[(2,4-dimethylphenyl)carbamoyl]-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 35039860

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide (CID 856403) is N-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
The InChIKey is QHLIMDAILGLSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13-8-9-16(10-14(13)2)21-18(23)12-24-19-20-11-17(22-19)15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide?
N-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide has a molecular weight of 337.45 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 856403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).