2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

C19H21N3O2S — CID 7151116

IUPAC2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSc2nccn2Cc2ccco2)c(C)c1
InChIInChI=1S/C19H21N3O2S/c1-13-9-14(2)18(15(3)10-13)21-17(23)12-25-19-20-6-7-22(19)11-16-5-4-8-24-16/h4-10H,11-12H2,1-3H3,(H,21,23)
InChIKeyVJPSRAPNMAYGPR-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.18
Rot. Bonds6

About 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide

2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 7151116) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID7151116
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CSc2nccn2Cc2ccco2)c(C)c1
InChIInChI=1S/C19H21N3O2S/c1-13-9-14(2)18(15(3)10-13)21-17(23)12-25-19-20-6-7-22(19)11-16-5-4-8-24-16/h4-10H,11-12H2,1-3H3,(H,21,23)
InChIKeyVJPSRAPNMAYGPR-UHFFFAOYSA-N
XLogP4.18
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)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-(3-chloro-4-methylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
CID 7151120
N-(4-acetylphenyl)-2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetamide
CID 7151131
2-[[4-(furan-2-ylmethyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3392740
N-(2-chloro-4,6-dimethylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide
CID 42255415
3-[2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-(furan-2-ylmethyl)benzamide
CID 50789243
N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 16562276
2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 24619105
N-(2,6-diethylphenyl)-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 46407045
3-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-(furan-2-ylmethyl)benzamide
CID 50789227
3-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylpropanenitrile
CID 94685888
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 24587232
N-(2,5-dimethylphenyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140664

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide (CID 7151116) is 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CSc2nccn2Cc2ccco2)c(C)c1.
What is the InChIKey of 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is VJPSRAPNMAYGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13-9-14(2)18(15(3)10-13)21-17(23)12-25-19-20-6-7-22(19)11-16-5-4-8-24-16/h4-10H,11-12H2,1-3H3,(H,21,23).
What are the key properties of 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide?
2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 355.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 7151116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).