N-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

C14H17N3OS — CID 6469141

IUPACN-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCCc1ccccc1NC(=O)CSc1nccn1C
InChIInChI=1S/C14H17N3OS/c1-3-11-6-4-5-7-12(11)16-13(18)10-19-14-15-8-9-17(14)2/h4-9H,3,10H2,1-2H3,(H,16,18)
InChIKeyDCDVAJPQLDQGAL-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.71
Rot. Bonds5

About N-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide

N-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (PubChem CID 6469141) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
PubChem CID6469141
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
SMILESCCc1ccccc1NC(=O)CSc1nccn1C
InChIInChI=1S/C14H17N3OS/c1-3-11-6-4-5-7-12(11)16-13(18)10-19-14-15-8-9-17(14)2/h4-9H,3,10H2,1-2H3,(H,16,18)
InChIKeyDCDVAJPQLDQGAL-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[1-(2-methylphenyl)-1H-imidazol-2-yl]sulfanyl}acetic acid
CID 4961785
6-(2-Imidazol-1-yl-vinyl)-1H-quinolin-2-one
CID 14373279
N-(2-Fluoro-phenyl)-2-(5-phenyl-1H-imidazol-2-ylsulfanyl)-acetamide
CID 1116757
N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 866687
N-(4-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)phenyl)acetamide
CID 2813255
N-hydroxy-2-[(1-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16194795
N-(3,4-Dimethyl-phenyl)-2-imidazol-1-yl-acetamide
CID 686405
2-((1-benzyl-1H-imidazol-2-yl)thio)acetamide
CID 747727
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-pentan-2-ylacetamide
CID 3430647
N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4186468
N-(3-chloro-2-methylphenyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 4275406
2-[5-(4-Chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanylpropanamide
CID 4779876

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide (CID 6469141) is N-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is CCc1ccccc1NC(=O)CSc1nccn1C.
What is the InChIKey of N-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
The InChIKey is DCDVAJPQLDQGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-11-6-4-5-7-12(11)16-13(18)10-19-14-15-8-9-17(14)2/h4-9H,3,10H2,1-2H3,(H,16,18).
What are the key properties of N-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide?
N-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide has a molecular weight of 275.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 6469141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).