N-(2,5-dimethylphenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide

C15H19N3O2S — CID 66151271

IUPACN-(2,5-dimethylphenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(C)c(NC(=O)CSc2ncc(CO)n2C)c1
InChIInChI=1S/C15H19N3O2S/c1-10-4-5-11(2)13(6-10)17-14(20)9-21-15-16-7-12(8-19)18(15)3/h4-7,19H,8-9H2,1-3H3,(H,17,20)
InChIKeyLPHJRGZPBQOGPC-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.26
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide

N-(2,5-dimethylphenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide (PubChem CID 66151271) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
PubChem CID66151271
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(2,5-dimethylphenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(C)c(NC(=O)CSc2ncc(CO)n2C)c1
InChIInChI=1S/C15H19N3O2S/c1-10-4-5-11(2)13(6-10)17-14(20)9-21-15-16-7-12(8-19)18(15)3/h4-7,19H,8-9H2,1-3H3,(H,17,20)
InChIKeyLPHJRGZPBQOGPC-UHFFFAOYSA-N
XLogP2.26
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dimethylphenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide 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-(2,5-dimethylphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3445729
2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
CID 27486670
2-[[5-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 19729127
2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-pentan-3-ylacetamide
CID 66152095
N-(2,5-dimethylphenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3996618
N-(3,3-dimethylbutyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 111825249
N-cyclopentyl-2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
CID 18571099
N-(2,5-dimethylphenyl)-2-[1-(4-nitrophenyl)imidazol-2-yl]sulfanylacetamide
CID 4594657
2-[[5-(2-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 1457323
N-(5-chloro-2-methylphenyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7870894
2-[[5-[(2,3-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 21166228
N-(2,5-dimethylphenyl)-2-[(6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]acetamide
CID 34637280

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide (CID 66151271) is N-(2,5-dimethylphenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide is Cc1ccc(C)c(NC(=O)CSc2ncc(CO)n2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide?
The InChIKey is LPHJRGZPBQOGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-4-5-11(2)13(6-10)17-14(20)9-21-15-16-7-12(8-19)18(15)3/h4-7,19H,8-9H2,1-3H3,(H,17,20).
What are the key properties of N-(2,5-dimethylphenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide?
N-(2,5-dimethylphenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide has a molecular weight of 305.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 66151271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).