(2R)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide

C21H19N3OS3 — CID 25356354

IUPAC(2R)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)[C@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)c1ccccc1
InChIInChI=1S/C21H19N3OS3/c1-24(2)20(25)19(14-8-4-3-5-9-14)28-21-22-17(15-10-6-12-26-15)18(23-21)16-11-7-13-27-16/h3-13,19H,1-2H3,(H,22,23)/t19-/m1/s1
InChIKeySUMOSFWROKDOCT-LJQANCHMSA-N
MW425.60 g/mol
LogP5.79
Rot. Bonds6

About (2R)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide

(2R)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide (PubChem CID 25356354) has the molecular formula C21H19N3OS3 and a molecular weight of 425.60 g/mol. Its IUPAC name is (2R)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
PubChem CID25356354
Molecular FormulaC21H19N3OS3
Molecular Weight425.60 g/mol
Exact Mass425.07
IUPAC Name(2R)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)[C@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)c1ccccc1
InChIInChI=1S/C21H19N3OS3/c1-24(2)20(25)19(14-8-4-3-5-9-14)28-21-22-17(15-10-6-12-26-15)18(23-21)16-11-7-13-27-16/h3-13,19H,1-2H3,(H,22,23)/t19-/m1/s1
InChIKeySUMOSFWROKDOCT-LJQANCHMSA-N
XLogP5.79
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.60
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide with MolForge

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Related Compounds

(2R)-N-(4-acetamidophenyl)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]propanamide
CID 40933652
2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide
CID 4825068
(2R)-N,N-dimethyl-2-phenyl-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 41193898
N,N-dimethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide
CID 18198813
(2S)-N-(cyclopropylcarbamoyl)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]propanamide
CID 25311321
(2S)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 41250875
(2S)-2-[[5-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 27765782
(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 7698044
2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N-(ethylcarbamoyl)acetamide
CID 4823359
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide
CID 51318159
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]ethanone
CID 40517805
2-(1,1,2,2-tetrafluoroethylsulfanyl)-4,5-dithiophen-2-yl-1H-imidazole
CID 21314980

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of (2R)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide (CID 25356354) is (2R)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide is CN(C)C(=O)[C@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)c1ccccc1.
What is the InChIKey of (2R)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide?
The InChIKey is SUMOSFWROKDOCT-LJQANCHMSA-N. The full InChI is InChI=1S/C21H19N3OS3/c1-24(2)20(25)19(14-8-4-3-5-9-14)28-21-22-17(15-10-6-12-26-15)18(23-21)16-11-7-13-27-16/h3-13,19H,1-2H3,(H,22,23)/t19-/m1/s1.
What are the key properties of (2R)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide?
(2R)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide has a molecular weight of 425.60 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4,5-dithiophen-2-yl-1H-imidazol-2-yl)sulfanyl]-N,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 25356354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).