2-(2-ethyl-2-methyl-5-phenylimidazol-4-yl)sulfanyl-N-(4-methylphenyl)acetamide

C21H23N3OS — CID 22428544

IUPAC2-(2-ethyl-2-methyl-5-phenylimidazol-4-yl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCCC1(C)N=C(SCC(=O)Nc2ccc(C)cc2)C(c2ccccc2)=N1
InChIInChI=1S/C21H23N3OS/c1-4-21(3)23-19(16-8-6-5-7-9-16)20(24-21)26-14-18(25)22-17-12-10-15(2)11-13-17/h5-13H,4,14H2,1-3H3,(H,22,25)
InChIKeyARUITWDPZLAZNL-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.69
Rot. Bonds5

About 2-(2-ethyl-2-methyl-5-phenylimidazol-4-yl)sulfanyl-N-(4-methylphenyl)acetamide

2-(2-ethyl-2-methyl-5-phenylimidazol-4-yl)sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 22428544) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is 2-(2-ethyl-2-methyl-5-phenylimidazol-4-yl)sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethyl-2-methyl-5-phenylimidazol-4-yl)sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID22428544
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name2-(2-ethyl-2-methyl-5-phenylimidazol-4-yl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCCC1(C)N=C(SCC(=O)Nc2ccc(C)cc2)C(c2ccccc2)=N1
InChIInChI=1S/C21H23N3OS/c1-4-21(3)23-19(16-8-6-5-7-9-16)20(24-21)26-14-18(25)22-17-12-10-15(2)11-13-17/h5-13H,4,14H2,1-3H3,(H,22,25)
InChIKeyARUITWDPZLAZNL-UHFFFAOYSA-N
XLogP4.69
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(8-ethyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 50744473
N-(4-bromo-3-methylphenyl)-2-[(2S)-5-(4-bromophenyl)-2-ethyl-2-methylimidazol-4-yl]sulfanylacetamide
CID 98193151
N-(3,4-dichlorophenyl)-2-(2,2-dimethyl-5-phenylimidazol-4-yl)sulfanylacetamide
CID 22428668
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
N-(4-bromophenyl)-2-[(2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide
CID 22428706
2-[(8-tert-butyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
CID 22428664
2-[[2-(4-bromophenyl)-8-methyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 22428848
N-(3,4-dichlorophenyl)-2-[[2-(4-methylphenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]acetamide
CID 22428871
N-(3,4-dimethylphenyl)-2-[[2-(4-methylphenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide
CID 22428834
N-(4-methylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 783683
2-[(2R)-5-(4-bromophenyl)-2-ethyl-2-methylimidazol-4-yl]sulfanyl-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 98193222
N-(2,4-dimethylphenyl)-2-[(2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide
CID 22428713

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-2-methyl-5-phenylimidazol-4-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(2-ethyl-2-methyl-5-phenylimidazol-4-yl)sulfanyl-N-(4-methylphenyl)acetamide (CID 22428544) is 2-(2-ethyl-2-methyl-5-phenylimidazol-4-yl)sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2-ethyl-2-methyl-5-phenylimidazol-4-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(2-ethyl-2-methyl-5-phenylimidazol-4-yl)sulfanyl-N-(4-methylphenyl)acetamide is CCC1(C)N=C(SCC(=O)Nc2ccc(C)cc2)C(c2ccccc2)=N1.
What is the InChIKey of 2-(2-ethyl-2-methyl-5-phenylimidazol-4-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is ARUITWDPZLAZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-4-21(3)23-19(16-8-6-5-7-9-16)20(24-21)26-14-18(25)22-17-12-10-15(2)11-13-17/h5-13H,4,14H2,1-3H3,(H,22,25).
What are the key properties of 2-(2-ethyl-2-methyl-5-phenylimidazol-4-yl)sulfanyl-N-(4-methylphenyl)acetamide?
2-(2-ethyl-2-methyl-5-phenylimidazol-4-yl)sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 365.50 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-2-methyl-5-phenylimidazol-4-yl)sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 22428544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).