2-phenyl-2-phenylsulfanyl-N-pyrazin-2-ylacetamide

C18H15N3OS — CID 2970654

IUPAC2-phenyl-2-phenylsulfanyl-N-pyrazin-2-ylacetamide
SMILESO=C(Nc1cnccn1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C18H15N3OS/c22-18(21-16-13-19-11-12-20-16)17(14-7-3-1-4-8-14)23-15-9-5-2-6-10-15/h1-13,17H,(H,20,21,22)
InChIKeyYTQBJVRVZCJTNE-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.95
Rot. Bonds5

About 2-phenyl-2-phenylsulfanyl-N-pyrazin-2-ylacetamide

2-phenyl-2-phenylsulfanyl-N-pyrazin-2-ylacetamide (PubChem CID 2970654) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-phenyl-2-phenylsulfanyl-N-pyrazin-2-ylacetamide.

Molecular Properties

Compound Name2-phenyl-2-phenylsulfanyl-N-pyrazin-2-ylacetamide
PubChem CID2970654
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name2-phenyl-2-phenylsulfanyl-N-pyrazin-2-ylacetamide
SMILESO=C(Nc1cnccn1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C18H15N3OS/c22-18(21-16-13-19-11-12-20-16)17(14-7-3-1-4-8-14)23-15-9-5-2-6-10-15/h1-13,17H,(H,20,21,22)
InChIKeyYTQBJVRVZCJTNE-UHFFFAOYSA-N
XLogP3.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-(pyrazin-2-yl)butanamide
CID 2970490
3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylpropanamide
CID 23394571
(2R)-2-[4-(2-methylpropyl)phenyl]-N-pyrazin-2-ylpropanamide
CID 9900441
(E)-2-phenyl-N-(pyrazin-2-yl)-3-(thiophen-2-yl)acrylamide
CID 44568124
2-[1-(6-Benzylsulfanylpyrazin-2-yl)piperidin-3-yl]acetamide
CID 84589696
N-pyrazin-2-yl-2-(3,4,5-trifluorophenyl)acetamide
CID 172437677
2-phenyl-N-(pyrazin-2-yl)acetamide
CID 85919001
N-[2-(3-methylthiophen-2-yl)ethyl]-4-(pyrazin-2-ylamino)cyclohexane-1-carboxamide
CID 136586271
2-(4-cyclopropylsulfonylphenyl)-3-[(3S,4R)-3,4-difluorocyclopentyl]-N-pyrazin-2-ylpropanamide
CID 25013436
(E)-3-[(3R,4S)-3,4-difluorocyclopentyl]-2-(4-methylsulfonylphenyl)-N-pyrazin-2-ylprop-2-enamide
CID 44462745
N-(5-bromopyrazin-2-yl)-3-(4-fluorophenyl)-2-(4-methanesulfonyl-phenyl)-propionamide
CID 57378396
3-(4-fluorophenyl)-2-(4-methanesulfonyl-phenyl)-N-(5-methylsulfanyl-pyrazin-2-yl)-propionamide
CID 57378397

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-phenylsulfanyl-N-pyrazin-2-ylacetamide?
The IUPAC name of 2-phenyl-2-phenylsulfanyl-N-pyrazin-2-ylacetamide (CID 2970654) is 2-phenyl-2-phenylsulfanyl-N-pyrazin-2-ylacetamide.
What is the SMILES notation for 2-phenyl-2-phenylsulfanyl-N-pyrazin-2-ylacetamide?
The canonical SMILES for 2-phenyl-2-phenylsulfanyl-N-pyrazin-2-ylacetamide is O=C(Nc1cnccn1)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-2-phenylsulfanyl-N-pyrazin-2-ylacetamide?
The InChIKey is YTQBJVRVZCJTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c22-18(21-16-13-19-11-12-20-16)17(14-7-3-1-4-8-14)23-15-9-5-2-6-10-15/h1-13,17H,(H,20,21,22).
What are the key properties of 2-phenyl-2-phenylsulfanyl-N-pyrazin-2-ylacetamide?
2-phenyl-2-phenylsulfanyl-N-pyrazin-2-ylacetamide has a molecular weight of 321.41 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-phenylsulfanyl-N-pyrazin-2-ylacetamide is sourced from PubChem (CID 2970654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).