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

C25H38N4O4S — CID 57394683

IUPACN-[(4S)-1-(2,2-dimethylpropyl)-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(CC(C)(C)C)CC2(C)C)cc1
InChIInChI=1S/C25H38N4O4S/c1-18-7-9-19(10-8-18)34(32,33)29-14-12-26-23(31)20(29)15-22(30)27-21-11-13-28(16-24(2,3)4)17-25(21,5)6/h7-10,12,14,20-21H,11,13,15-17H2,1-6H3,(H,26,31)(H,27,30)/t20-,21+/m1/s1
InChIKeyYGVSKIXJUKFGQZ-RTWAWAEBSA-N
MW490.67 g/mol
LogP2.61
Rot. Bonds6

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

N-[(4S)-1-(2,2-dimethylpropyl)-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide (PubChem CID 57394683) has the molecular formula C25H38N4O4S and a molecular weight of 490.67 g/mol. Its IUPAC name is N-[(4S)-1-(2,2-dimethylpropyl)-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-(2,2-dimethylpropyl)-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
PubChem CID57394683
Molecular FormulaC25H38N4O4S
Molecular Weight490.67 g/mol
Exact Mass490.26
IUPAC NameN-[(4S)-1-(2,2-dimethylpropyl)-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(CC(C)(C)C)CC2(C)C)cc1
InChIInChI=1S/C25H38N4O4S/c1-18-7-9-19(10-8-18)34(32,33)29-14-12-26-23(31)20(29)15-22(30)27-21-11-13-28(16-24(2,3)4)17-25(21,5)6/h7-10,12,14,20-21H,11,13,15-17H2,1-6H3,(H,26,31)(H,27,30)/t20-,21+/m1/s1
InChIKeyYGVSKIXJUKFGQZ-RTWAWAEBSA-N
XLogP2.61
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.67
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(4S)-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
CID 53360054
2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-1,3,3-trimethylpiperidin-4-yl]acetamide
CID 57392940
N-[(4S)-1-cyclopentyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
CID 57392941
N-[(4S)-1-ethyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
CID 57396446
N-[(4S)-3,3-dimethyl-1-propylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
CID 57398235
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
N-[(4S)-3,3-dimethyl-1-(2-methylpropyl)piperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
CID 57403391
N-[(4S)-1-benzyl-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
CID 57394684
N-((S)-1-cyclopropyl-3,3-dimethylpiperidin-4-yl)-2-((R)-3-oxo-1-tosyl-1,2,3,4-tetrahydropyrazin-2-yl)acetamide
CID 57394685
2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 57395449
N-(4-methylcyclohexyl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
CID 57399885
4-[2-[[2,5-Dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 2882239

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-(2,2-dimethylpropyl)-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-(2,2-dimethylpropyl)-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide (CID 57394683) is N-[(4S)-1-(2,2-dimethylpropyl)-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-(2,2-dimethylpropyl)-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-(2,2-dimethylpropyl)-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(CC(C)(C)C)CC2(C)C)cc1.
What is the InChIKey of N-[(4S)-1-(2,2-dimethylpropyl)-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide?
The InChIKey is YGVSKIXJUKFGQZ-RTWAWAEBSA-N. The full InChI is InChI=1S/C25H38N4O4S/c1-18-7-9-19(10-8-18)34(32,33)29-14-12-26-23(31)20(29)15-22(30)27-21-11-13-28(16-24(2,3)4)17-25(21,5)6/h7-10,12,14,20-21H,11,13,15-17H2,1-6H3,(H,26,31)(H,27,30)/t20-,21+/m1/s1.
What are the key properties of N-[(4S)-1-(2,2-dimethylpropyl)-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide?
N-[(4S)-1-(2,2-dimethylpropyl)-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide has a molecular weight of 490.67 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-(2,2-dimethylpropyl)-3,3-dimethylpiperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide is sourced from PubChem (CID 57394683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).