N-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide

C18H22N4O5S — CID 90637690

IUPACN-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide
SMILESCOc1cncc(OC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3C)C2)n1
InChIInChI=1S/C18H22N4O5S/c1-12-8-14(20-13(2)23)4-5-16(12)28(24,25)22-7-6-15(11-22)27-18-10-19-9-17(21-18)26-3/h4-5,8-10,15H,6-7,11H2,1-3H3,(H,20,23)
InChIKeySPGYVXAQGGDABM-UHFFFAOYSA-N
MW406.46 g/mol
LogP1.59
Rot. Bonds6

About N-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide

N-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide (PubChem CID 90637690) has the molecular formula C18H22N4O5S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide
PubChem CID90637690
Molecular FormulaC18H22N4O5S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC NameN-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide
SMILESCOc1cncc(OC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3C)C2)n1
InChIInChI=1S/C18H22N4O5S/c1-12-8-14(20-13(2)23)4-5-16(12)28(24,25)22-7-6-15(11-22)27-18-10-19-9-17(21-18)26-3/h4-5,8-10,15H,6-7,11H2,1-3H3,(H,20,23)
InChIKeySPGYVXAQGGDABM-UHFFFAOYSA-N
XLogP1.59
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide
CID 90639440
N-[3-methyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]acetamide
CID 122261147
N-[4-[3-(3-cyanopyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide
CID 90636815
2-methoxy-6-[1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90637692
2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine
CID 90637612
N-[4-methyl-3-[3-(methylamino)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 115300406
N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637561
2-methoxy-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 100615718
2-[1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxyquinoxaline
CID 126854612
1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 90639397
N-[4-[(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)sulfonyl]-3-methylphenyl]acetamide
CID 119104376
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 90637330

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide?
The IUPAC name of N-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide (CID 90637690) is N-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide.
What is the SMILES notation for N-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide?
The canonical SMILES for N-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide is COc1cncc(OC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3C)C2)n1.
What is the InChIKey of N-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide?
The InChIKey is SPGYVXAQGGDABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S/c1-12-8-14(20-13(2)23)4-5-16(12)28(24,25)22-7-6-15(11-22)27-18-10-19-9-17(21-18)26-3/h4-5,8-10,15H,6-7,11H2,1-3H3,(H,20,23).
What are the key properties of N-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide?
N-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide has a molecular weight of 406.46 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide is sourced from PubChem (CID 90637690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).