N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide

C18H23N3O2S — CID 42084151

IUPACN-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide
SMILESCCNC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1
InChIInChI=1S/C18H23N3O2S/c1-2-19-17(22)13-24-18-20-11-16(14-7-4-3-5-8-14)21(18)12-15-9-6-10-23-15/h3-5,7-8,11,15H,2,6,9-10,12-13H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyRNYDVFBSXVKRTN-HNNXBMFYSA-N
MW345.47 g/mol
LogP2.96
Rot. Bonds7

About N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide

N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide (PubChem CID 42084151) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide
PubChem CID42084151
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide
SMILESCCNC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1
InChIInChI=1S/C18H23N3O2S/c1-2-19-17(22)13-24-18-20-11-16(14-7-4-3-5-8-14)21(18)12-15-9-6-10-23-15/h3-5,7-8,11,15H,2,6,9-10,12-13H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyRNYDVFBSXVKRTN-HNNXBMFYSA-N
XLogP2.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanyl-N-propylacetamide
CID 17440346
N-[(4-chlorophenyl)methyl]-2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetamide
CID 46688536
N-(4-acetylphenyl)-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide
CID 1169947
(2R)-N-ethyl-2-[1-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide
CID 40790828
(2R)-N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylpropanamide
CID 40790824
N-(2-methoxyphenyl)-2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetamide
CID 3168723
N-(2-methoxyphenyl)-2-[1-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide
CID 1169936
1-[[(2S)-oxolan-2-yl]methyl]-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-5-phenylimidazole
CID 94578664
3-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylpropanamide
CID 51319699
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetamide
CID 24591709
N-(5-chloro-2-fluorophenyl)-2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetamide
CID 46688500
N-(2,5-dichlorophenyl)-2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetamide
CID 46688541

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide (CID 42084151) is N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide is CCNC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1.
What is the InChIKey of N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide?
The InChIKey is RNYDVFBSXVKRTN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-2-19-17(22)13-24-18-20-11-16(14-7-4-3-5-8-14)21(18)12-15-9-6-10-23-15/h3-5,7-8,11,15H,2,6,9-10,12-13H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide?
N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide has a molecular weight of 345.47 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-[[(2S)-oxolan-2-yl]methyl]-5-phenylimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 42084151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).