2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide

C13H17N3O2S — CID 134064767

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSC2=NCCN2)c(C)c1
InChIInChI=1S/C13H17N3O2S/c1-9-7-10(18-2)3-4-11(9)16-12(17)8-19-13-14-5-6-15-13/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyZFANCWKWGUHGOJ-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.63
Rot. Bonds4

About 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide (PubChem CID 134064767) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide
PubChem CID134064767
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSC2=NCCN2)c(C)c1
InChIInChI=1S/C13H17N3O2S/c1-9-7-10(18-2)3-4-11(9)16-12(17)8-19-13-14-5-6-15-13/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyZFANCWKWGUHGOJ-UHFFFAOYSA-N
XLogP1.63
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)acetamide
CID 729797
N-(4-methoxy-2-methylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 9458130
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]-N-(4-methoxy-2-methylphenyl)acetamide
CID 134064765
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
N-(4-methoxy-2-methylphenyl)-3-oxobutanamide
CID 20565334
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 4041341
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
2-(azetidin-3-yl)-N-(4-methoxy-2-methylphenyl)acetamide
CID 64612053
3-amino-N-(4-methoxy-2-methylphenyl)-3-sulfanylidenepropanamide
CID 62872080
N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040719
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetamide;hydrochloride
CID 3080475
2-anilino-N-(4-methoxy-2-methylphenyl)acetamide
CID 62871353

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide (CID 134064767) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide is COc1ccc(NC(=O)CSC2=NCCN2)c(C)c1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide?
The InChIKey is ZFANCWKWGUHGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-7-10(18-2)3-4-11(9)16-12(17)8-19-13-14-5-6-15-13/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide has a molecular weight of 279.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methoxy-2-methylphenyl)acetamide is sourced from PubChem (CID 134064767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).