N-[(4S)-1-cyclobutyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide

C24H34N4O4S — CID 57398236

IUPACN-[(4S)-1-cyclobutyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@H]2CCN(C3CCC3)CC2(C)C)cc1
InChIInChI=1S/C24H34N4O4S/c1-17-7-9-19(10-8-17)33(31,32)28-14-12-25-23(30)20(28)15-22(29)26-21-11-13-27(16-24(21,2)3)18-5-4-6-18/h7-10,12,14,18,20-21H,4-6,11,13,15-16H2,1-3H3,(H,25,30)(H,26,29)/t20-,21+/m1/s1
InChIKeyZXIYSBLLGAZRTM-RTWAWAEBSA-N
MW474.63 g/mol
LogP2.11
Rot. Bonds6

About N-[(4S)-1-cyclobutyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide

N-[(4S)-1-cyclobutyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide (PubChem CID 57398236) has the molecular formula C24H34N4O4S and a molecular weight of 474.63 g/mol. Its IUPAC name is N-[(4S)-1-cyclobutyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4S)-1-cyclobutyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
PubChem CID57398236
Molecular FormulaC24H34N4O4S
Molecular Weight474.63 g/mol
Exact Mass474.23
IUPAC NameN-[(4S)-1-cyclobutyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@H]2CCN(C3CCC3)CC2(C)C)cc1
InChIInChI=1S/C24H34N4O4S/c1-17-7-9-19(10-8-17)33(31,32)28-14-12-25-23(30)20(28)15-22(29)26-21-11-13-27(16-24(21,2)3)18-5-4-6-18/h7-10,12,14,18,20-21H,4-6,11,13,15-16H2,1-3H3,(H,25,30)(H,26,29)/t20-,21+/m1/s1
InChIKeyZXIYSBLLGAZRTM-RTWAWAEBSA-N
XLogP2.11
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-cyclobutyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide?
The IUPAC name of N-[(4S)-1-cyclobutyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide (CID 57398236) is N-[(4S)-1-cyclobutyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide.
What is the SMILES notation for N-[(4S)-1-cyclobutyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide?
The canonical SMILES for N-[(4S)-1-cyclobutyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide is Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@H]2CCN(C3CCC3)CC2(C)C)cc1.
What is the InChIKey of N-[(4S)-1-cyclobutyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide?
The InChIKey is ZXIYSBLLGAZRTM-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H34N4O4S/c1-17-7-9-19(10-8-17)33(31,32)28-14-12-25-23(30)20(28)15-22(29)26-21-11-13-27(16-24(21,2)3)18-5-4-6-18/h7-10,12,14,18,20-21H,4-6,11,13,15-16H2,1-3H3,(H,25,30)(H,26,29)/t20-,21+/m1/s1.
What are the key properties of N-[(4S)-1-cyclobutyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide?
N-[(4S)-1-cyclobutyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide has a molecular weight of 474.63 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-cyclobutyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide is sourced from PubChem (CID 57398236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).