2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide

C18H25N3OS — CID 41459858

IUPAC2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)NCCC(C)C)c1C
InChIInChI=1S/C18H25N3OS/c1-13(2)8-9-19-17(22)12-23-18-20-10-11-21(18)16-7-5-6-14(3)15(16)4/h5-7,10-11,13H,8-9,12H2,1-4H3,(H,19,22)
InChIKeyJECOHJXSPDZLHS-UHFFFAOYSA-N
MW331.49 g/mol
LogP3.74
Rot. Bonds7

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

2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide (PubChem CID 41459858) has the molecular formula C18H25N3OS and a molecular weight of 331.49 g/mol. Its IUPAC name is 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
PubChem CID41459858
Molecular FormulaC18H25N3OS
Molecular Weight331.49 g/mol
Exact Mass331.17
IUPAC Name2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)NCCC(C)C)c1C
InChIInChI=1S/C18H25N3OS/c1-13(2)8-9-19-17(22)12-23-18-20-10-11-21(18)16-7-5-6-14(3)15(16)4/h5-7,10-11,13H,8-9,12H2,1-4H3,(H,19,22)
InChIKeyJECOHJXSPDZLHS-UHFFFAOYSA-N
XLogP3.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 40685052
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 111463207
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40685064
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-pyridin-3-ylacetamide
CID 39761133
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 41459961
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 87043617
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 41042053
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 55653220
N'-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-4-fluorobenzohydrazide
CID 46813112
2-[[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-ethylacetamide
CID 40669211
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56523602
4-(difluoromethoxy)-N-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]benzamide
CID 46816872

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide (CID 41459858) is 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide is Cc1cccc(-n2ccnc2SCC(=O)NCCC(C)C)c1C.
What is the InChIKey of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide?
The InChIKey is JECOHJXSPDZLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-13(2)8-9-19-17(22)12-23-18-20-10-11-21(18)16-7-5-6-14(3)15(16)4/h5-7,10-11,13H,8-9,12H2,1-4H3,(H,19,22).
What are the key properties of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide?
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide has a molecular weight of 331.49 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 41459858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).