N-[4-[3-(3-cyanopyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide

C18H19N5O4S — CID 90636815

IUPACN-[4-[3-(3-cyanopyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3nccnc3C#N)C2)c(C)c1
InChIInChI=1S/C18H19N5O4S/c1-12-9-14(22-13(2)24)3-4-17(12)28(25,26)23-8-5-15(11-23)27-18-16(10-19)20-6-7-21-18/h3-4,6-7,9,15H,5,8,11H2,1-2H3,(H,22,24)
InChIKeyKECIYJAZZMPICZ-UHFFFAOYSA-N
MW401.45 g/mol
LogP1.46
Rot. Bonds5

About N-[4-[3-(3-cyanopyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide

N-[4-[3-(3-cyanopyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide (PubChem CID 90636815) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is N-[4-[3-(3-cyanopyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(3-cyanopyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide
PubChem CID90636815
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC NameN-[4-[3-(3-cyanopyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3nccnc3C#N)C2)c(C)c1
InChIInChI=1S/C18H19N5O4S/c1-12-9-14(22-13(2)24)3-4-17(12)28(25,26)23-8-5-15(11-23)27-18-16(10-19)20-6-7-21-18/h3-4,6-7,9,15H,5,8,11H2,1-2H3,(H,22,24)
InChIKeyKECIYJAZZMPICZ-UHFFFAOYSA-N
XLogP1.46
TPSA125.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636771
3-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636786
N-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide
CID 90637690
N-[3-methyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]acetamide
CID 122261147
3-(1-methylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 91626857
3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxypyrazine-2-carbonitrile
CID 91626871
N-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide
CID 90639440
3-[(3S)-1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100756359
3-[(3R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100756332
N-(4-butoxyphenyl)-3-(3-cyanopyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90636747
N-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 115300406
3-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]oxypyrazine-2-carbonitrile
CID 100652937

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(3-cyanopyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide?
The IUPAC name of N-[4-[3-(3-cyanopyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide (CID 90636815) is N-[4-[3-(3-cyanopyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[3-(3-cyanopyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide?
The canonical SMILES for N-[4-[3-(3-cyanopyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3nccnc3C#N)C2)c(C)c1.
What is the InChIKey of N-[4-[3-(3-cyanopyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide?
The InChIKey is KECIYJAZZMPICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-12-9-14(22-13(2)24)3-4-17(12)28(25,26)23-8-5-15(11-23)27-18-16(10-19)20-6-7-21-18/h3-4,6-7,9,15H,5,8,11H2,1-2H3,(H,22,24).
What are the key properties of N-[4-[3-(3-cyanopyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide?
N-[4-[3-(3-cyanopyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide has a molecular weight of 401.45 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(3-cyanopyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide is sourced from PubChem (CID 90636815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).