N-[(1S)-1-phenylethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide

C20H19N3OS2 — CID 92897230

IUPACN-[(1S)-1-phenylethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide
SMILESC[C@H](NC(=O)CSc1nccnc1Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H19N3OS2/c1-15(16-8-4-2-5-9-16)23-18(24)14-25-19-20(22-13-12-21-19)26-17-10-6-3-7-11-17/h2-13,15H,14H2,1H3,(H,23,24)/t15-/m0/s1
InChIKeyXWFRYPDRDQGKAI-HNNXBMFYSA-N
MW381.53 g/mol
LogP4.60
Rot. Bonds7

About N-[(1S)-1-phenylethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide

N-[(1S)-1-phenylethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide (PubChem CID 92897230) has the molecular formula C20H19N3OS2 and a molecular weight of 381.53 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide
PubChem CID92897230
Molecular FormulaC20H19N3OS2
Molecular Weight381.53 g/mol
Exact Mass381.10
IUPAC NameN-[(1S)-1-phenylethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide
SMILESC[C@H](NC(=O)CSc1nccnc1Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H19N3OS2/c1-15(16-8-4-2-5-9-16)23-18(24)14-25-19-20(22-13-12-21-19)26-17-10-6-3-7-11-17/h2-13,15H,14H2,1H3,(H,23,24)/t15-/m0/s1
InChIKeyXWFRYPDRDQGKAI-HNNXBMFYSA-N
XLogP4.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.53
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide
CID 92897232
N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide
CID 684786
N-[1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide
CID 50836290
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide
CID 92897244
N-[(4-ethylphenyl)methyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide
CID 50836037
N-[(2S)-butan-2-yl]-2-[3-(3-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide
CID 92897248
2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40529460
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-[3-(2-methylphenyl)sulfanylpyrazin-2-yl]sulfanylacetamide
CID 92897245
2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 7213972
2-(4-fluorophenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 894218
2-(3-chlorophenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 2951148

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide (CID 92897230) is N-[(1S)-1-phenylethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide is C[C@H](NC(=O)CSc1nccnc1Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide?
The InChIKey is XWFRYPDRDQGKAI-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19N3OS2/c1-15(16-8-4-2-5-9-16)23-18(24)14-25-19-20(22-13-12-21-19)26-17-10-6-3-7-11-17/h2-13,15H,14H2,1H3,(H,23,24)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide?
N-[(1S)-1-phenylethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide has a molecular weight of 381.53 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide is sourced from PubChem (CID 92897230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).