N-(4-methylphenyl)-2-(2-oxo-1,3-diphenylimidazol-4-yl)sulfanylacetamide

C24H21N3O2S — CID 11133475

IUPACN-(4-methylphenyl)-2-(2-oxo-1,3-diphenylimidazol-4-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2cn(-c3ccccc3)c(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C24H21N3O2S/c1-18-12-14-19(15-13-18)25-22(28)17-30-23-16-26(20-8-4-2-5-9-20)24(29)27(23)21-10-6-3-7-11-21/h2-16H,17H2,1H3,(H,25,28)
InChIKeyMODZIQLAUMKMBT-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.67
Rot. Bonds6

About N-(4-methylphenyl)-2-(2-oxo-1,3-diphenylimidazol-4-yl)sulfanylacetamide

N-(4-methylphenyl)-2-(2-oxo-1,3-diphenylimidazol-4-yl)sulfanylacetamide (PubChem CID 11133475) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(2-oxo-1,3-diphenylimidazol-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(2-oxo-1,3-diphenylimidazol-4-yl)sulfanylacetamide
PubChem CID11133475
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC NameN-(4-methylphenyl)-2-(2-oxo-1,3-diphenylimidazol-4-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2cn(-c3ccccc3)c(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C24H21N3O2S/c1-18-12-14-19(15-13-18)25-22(28)17-30-23-16-26(20-8-4-2-5-9-20)24(29)27(23)21-10-6-3-7-11-21/h2-16H,17H2,1H3,(H,25,28)
InChIKeyMODZIQLAUMKMBT-UHFFFAOYSA-N
XLogP4.67
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 4088320
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 986884
N-(4-anilinophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 1244966
N-(4-bromophenyl)-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2040936
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
N-(4-methylphenyl)-2-(1-pyrrol-1-ylpyrrol-2-yl)sulfanylacetamide
CID 66557349
2-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 3167198
2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 3371121
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylacetamide
CID 788503
N-(4-methylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 783683
2-[[5-(2-hydroxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 1374471
2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
CID 3706896

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(2-oxo-1,3-diphenylimidazol-4-yl)sulfanylacetamide?
The IUPAC name of N-(4-methylphenyl)-2-(2-oxo-1,3-diphenylimidazol-4-yl)sulfanylacetamide (CID 11133475) is N-(4-methylphenyl)-2-(2-oxo-1,3-diphenylimidazol-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(2-oxo-1,3-diphenylimidazol-4-yl)sulfanylacetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(2-oxo-1,3-diphenylimidazol-4-yl)sulfanylacetamide is Cc1ccc(NC(=O)CSc2cn(-c3ccccc3)c(=O)n2-c2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(2-oxo-1,3-diphenylimidazol-4-yl)sulfanylacetamide?
The InChIKey is MODZIQLAUMKMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-18-12-14-19(15-13-18)25-22(28)17-30-23-16-26(20-8-4-2-5-9-20)24(29)27(23)21-10-6-3-7-11-21/h2-16H,17H2,1H3,(H,25,28).
What are the key properties of N-(4-methylphenyl)-2-(2-oxo-1,3-diphenylimidazol-4-yl)sulfanylacetamide?
N-(4-methylphenyl)-2-(2-oxo-1,3-diphenylimidazol-4-yl)sulfanylacetamide has a molecular weight of 415.52 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(2-oxo-1,3-diphenylimidazol-4-yl)sulfanylacetamide is sourced from PubChem (CID 11133475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).