2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide

C21H25N3O3S — CID 55594065

IUPAC2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1ccco1)C(=O)CSc1nccn1-c1cccc(C)c1C
InChIInChI=1S/C21H25N3O3S/c1-16-6-4-8-19(17(16)2)24-10-9-22-21(24)28-15-20(25)23(11-13-26-3)14-18-7-5-12-27-18/h4-10,12H,11,13-15H2,1-3H3
InChIKeyHHCXIYUOWJYSMK-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.85
Rot. Bonds9

About 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide

2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide (PubChem CID 55594065) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide
PubChem CID55594065
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide
SMILESCOCCN(Cc1ccco1)C(=O)CSc1nccn1-c1cccc(C)c1C
InChIInChI=1S/C21H25N3O3S/c1-16-6-4-8-19(17(16)2)24-10-9-22-21(24)28-15-20(25)23(11-13-26-3)14-18-7-5-12-27-18/h4-10,12H,11,13-15H2,1-3H3
InChIKeyHHCXIYUOWJYSMK-UHFFFAOYSA-N
XLogP3.85
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide 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-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 35349516
2-[[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-ethylacetamide
CID 40669211
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 32992933
2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide
CID 55587514
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 112820398
3-(4-bromophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide
CID 60567081
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134059726
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)-N-methylacetamide
CID 37285792
1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one
CID 163542444
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone
CID 74656404
N-(furan-2-ylmethyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 7594947
5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685085

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide (CID 55594065) is 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide is COCCN(Cc1ccco1)C(=O)CSc1nccn1-c1cccc(C)c1C.
What is the InChIKey of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide?
The InChIKey is HHCXIYUOWJYSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-16-6-4-8-19(17(16)2)24-10-9-22-21(24)28-15-20(25)23(11-13-26-3)14-18-7-5-12-27-18/h4-10,12H,11,13-15H2,1-3H3.
What are the key properties of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide?
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide has a molecular weight of 399.52 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 55594065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).