2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide

C21H25N3OS — CID 22831107

IUPAC2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESCCCCn1c(SCC(=O)Nc2cccc3ccccc23)nc(C)c1C
InChIInChI=1S/C21H25N3OS/c1-4-5-13-24-16(3)15(2)22-21(24)26-14-20(25)23-19-12-8-10-17-9-6-7-11-18(17)19/h6-12H,4-5,13-14H2,1-3H3,(H,23,25)
InChIKeyMVJFSIZEKAGQAA-UHFFFAOYSA-N
MW367.52 g/mol
LogP5.18
Rot. Bonds7

About 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide

2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide (PubChem CID 22831107) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
PubChem CID22831107
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
SMILESCCCCn1c(SCC(=O)Nc2cccc3ccccc23)nc(C)c1C
InChIInChI=1S/C21H25N3OS/c1-4-5-13-24-16(3)15(2)22-21(24)26-14-20(25)23-19-12-8-10-17-9-6-7-11-18(17)19/h6-12H,4-5,13-14H2,1-3H3,(H,23,25)
InChIKeyMVJFSIZEKAGQAA-UHFFFAOYSA-N
XLogP5.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.52
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide 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

2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide
CID 46540785
N-(2-bromo-4-methylphenyl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide
CID 36835611
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide
CID 46510892
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 31038790
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide
CID 18278347
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide
CID 43039525
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-carbamoylacetamide
CID 25405496
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 18146970
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 36836569
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 7454990
2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 8987652
2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)acetamide
CID 8004014

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide (CID 22831107) is 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide is CCCCn1c(SCC(=O)Nc2cccc3ccccc23)nc(C)c1C.
What is the InChIKey of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
The InChIKey is MVJFSIZEKAGQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-4-5-13-24-16(3)15(2)22-21(24)26-14-20(25)23-19-12-8-10-17-9-6-7-11-18(17)19/h6-12H,4-5,13-14H2,1-3H3,(H,23,25).
What are the key properties of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide?
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide has a molecular weight of 367.52 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 22831107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).