N-[1-(3-acetamidophenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

C21H22N4O2S — CID 46402331

IUPACN-[1-(3-acetamidophenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)NC(C)c2cccc(NC(C)=O)c2)n1-c1ccccc1
InChIInChI=1S/C21H22N4O2S/c1-14(16-8-7-9-17(12-16)24-15(2)26)23-20(27)19-13-22-21(28-3)25(19)18-10-5-4-6-11-18/h4-14H,1-3H3,(H,23,27)(H,24,26)
InChIKeySGZMQQMNQBQIIY-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.04
Rot. Bonds6

About N-[1-(3-acetamidophenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

N-[1-(3-acetamidophenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide (PubChem CID 46402331) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[1-(3-acetamidophenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-acetamidophenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
PubChem CID46402331
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-[1-(3-acetamidophenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)NC(C)c2cccc(NC(C)=O)c2)n1-c1ccccc1
InChIInChI=1S/C21H22N4O2S/c1-14(16-8-7-9-17(12-16)24-15(2)26)23-20(27)19-13-22-21(28-3)25(19)18-10-5-4-6-11-18/h4-14H,1-3H3,(H,23,27)(H,24,26)
InChIKeySGZMQQMNQBQIIY-UHFFFAOYSA-N
XLogP4.04
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(3-acetamidophenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 46813286
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
2-methylsulfanyl-3-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide
CID 30875130
2-methylsulfanyl-3-phenyl-N-[1-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]imidazole-4-carboxamide
CID 86945432
2-methylsulfanyl-N-[3-(1,3-oxazol-5-yl)phenyl]-3-phenylimidazole-4-carboxamide
CID 55834750
N-[1-(3-acetamidophenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55585413
N-(4-acetamidophenyl)-3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxamide
CID 34316971
2-methylsulfanyl-3-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]imidazole-4-carboxamide
CID 38668529
3-(4-fluorophenyl)-2-methylsulfanyl-N-propan-2-ylimidazole-4-carboxamide
CID 18124051
N-[(1R)-1-(3-acetamidophenyl)ethyl]-2-hydroxybenzamide
CID 38518872
N-[1-(3-acetamidophenyl)ethyl]-2-acetylbenzamide
CID 71867003
N-(4-acetyl-1,3-thiazol-2-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 51248191

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[1-(3-acetamidophenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide (CID 46402331) is N-[1-(3-acetamidophenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-acetamidophenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[1-(3-acetamidophenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide is CSc1ncc(C(=O)NC(C)c2cccc(NC(C)=O)c2)n1-c1ccccc1.
What is the InChIKey of N-[1-(3-acetamidophenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The InChIKey is SGZMQQMNQBQIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-14(16-8-7-9-17(12-16)24-15(2)26)23-20(27)19-13-22-21(28-3)25(19)18-10-5-4-6-11-18/h4-14H,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-[1-(3-acetamidophenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
N-[1-(3-acetamidophenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-acetamidophenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 46402331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).