2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide

C14H17N3OS — CID 42253982

IUPAC2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCCn1ccnc1SCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H17N3OS/c1-3-17-9-8-15-14(17)19-10-13(18)16-12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3,(H,16,18)
InChIKeyZGGPMRUTXFLRHP-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.94
Rot. Bonds5

About 2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide

2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 42253982) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID42253982
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCCn1ccnc1SCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C14H17N3OS/c1-3-17-9-8-15-14(17)19-10-13(18)16-12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3,(H,16,18)
InChIKeyZGGPMRUTXFLRHP-UHFFFAOYSA-N
XLogP2.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 7151038
2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 22585512
2-(1-cyclohexylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 22585440
N-(2-chloro-4,6-dimethylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide
CID 42255415
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4120310
2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 6468543
2-(1-ethylimidazol-2-yl)sulfanyl-N-(2-iodophenyl)acetamide
CID 42254906
2-(1-ethyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 135399186
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 24580289
2-(1-methylimidazol-2-yl)sulfanyl-N-(3-methylphenyl)acetamide
CID 712610
N-[4-(dimethylamino)phenyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 55368161
2-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 20941951

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide (CID 42253982) is 2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide is CCn1ccnc1SCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is ZGGPMRUTXFLRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-17-9-8-15-14(17)19-10-13(18)16-12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3,(H,16,18).
What are the key properties of 2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 275.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 42253982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).