N-[(4R)-3,3-dimethyl-4-(2-methylpropyl)piperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide

C24H36N4O4S — CID 69150777

IUPACN-[(4R)-3,3-dimethyl-4-(2-methylpropyl)piperidin-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@]2(CC(C)C)CCNCC2(C)C)cc1
InChIInChI=1S/C24H36N4O4S/c1-17(2)15-24(10-11-25-16-23(24,4)5)27-21(29)14-20-22(30)26-12-13-28(20)33(31,32)19-8-6-18(3)7-9-19/h6-9,12-13,17,20,25H,10-11,14-16H2,1-5H3,(H,26,30)(H,27,29)/t20-,24+/m1/s1
InChIKeyJVOWHYSYOPLOSD-YKSBVNFPSA-N
MW476.64 g/mol
LogP2.27
Rot. Bonds7

About N-[(4R)-3,3-dimethyl-4-(2-methylpropyl)piperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide

N-[(4R)-3,3-dimethyl-4-(2-methylpropyl)piperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide (PubChem CID 69150777) has the molecular formula C24H36N4O4S and a molecular weight of 476.64 g/mol. Its IUPAC name is N-[(4R)-3,3-dimethyl-4-(2-methylpropyl)piperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4R)-3,3-dimethyl-4-(2-methylpropyl)piperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
PubChem CID69150777
Molecular FormulaC24H36N4O4S
Molecular Weight476.64 g/mol
Exact Mass476.25
IUPAC NameN-[(4R)-3,3-dimethyl-4-(2-methylpropyl)piperidin-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@]2(CC(C)C)CCNCC2(C)C)cc1
InChIInChI=1S/C24H36N4O4S/c1-17(2)15-24(10-11-25-16-23(24,4)5)27-21(29)14-20-22(30)26-12-13-28(20)33(31,32)19-8-6-18(3)7-9-19/h6-9,12-13,17,20,25H,10-11,14-16H2,1-5H3,(H,26,30)(H,27,29)/t20-,24+/m1/s1
InChIKeyJVOWHYSYOPLOSD-YKSBVNFPSA-N
XLogP2.27
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.64
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-dimethylpiperidin-4-yl)-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide;hydrochloride
CID 68938847
cis-(1S,2R)-2-[[2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 68680085
(3R)-3-[2-(azetidin-1-yl)-2-oxoethyl]-4-(4-methylphenyl)sulfonyl-1,3-dihydropyrazin-2-one
CID 11508538
(3R)-4-(4-methylphenyl)sulfonyl-3-[2-oxo-2-[4-(propan-2-ylamino)piperidin-1-yl]ethyl]-1,3-dihydropyrazin-2-one
CID 68940797
2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3S)-6-oxopiperidin-3-yl]acetamide
CID 68942179
2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(8S)-2,6,6-trimethyl-3-oxo-7,8-dihydro-5H-isoquinolin-8-yl]acetamide
CID 68679627
2-[4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]acetamide
CID 68678236
N-[(1R,4S)-4-(4-fluoropiperidin-1-yl)-2,2-dimethylcyclohexyl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
CID 68942389
N-[(1R,4S)-2,2-dimethyl-4-(4-methylpiperidin-1-yl)cyclohexyl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
CID 68939374
N-[(1R,4R)-4-(2,2-dimethylpropylamino)-2,2-dimethylcyclohexyl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
CID 68941901
N-[(1R,4S)-4-(2,2-dimethylpropylamino)-2,2-dimethylcyclohexyl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide
CID 68942333
2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 68680120

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,3-dimethyl-4-(2-methylpropyl)piperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide?
The IUPAC name of N-[(4R)-3,3-dimethyl-4-(2-methylpropyl)piperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide (CID 69150777) is N-[(4R)-3,3-dimethyl-4-(2-methylpropyl)piperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide.
What is the SMILES notation for N-[(4R)-3,3-dimethyl-4-(2-methylpropyl)piperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide?
The canonical SMILES for N-[(4R)-3,3-dimethyl-4-(2-methylpropyl)piperidin-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@]2(CC(C)C)CCNCC2(C)C)cc1.
What is the InChIKey of N-[(4R)-3,3-dimethyl-4-(2-methylpropyl)piperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide?
The InChIKey is JVOWHYSYOPLOSD-YKSBVNFPSA-N. The full InChI is InChI=1S/C24H36N4O4S/c1-17(2)15-24(10-11-25-16-23(24,4)5)27-21(29)14-20-22(30)26-12-13-28(20)33(31,32)19-8-6-18(3)7-9-19/h6-9,12-13,17,20,25H,10-11,14-16H2,1-5H3,(H,26,30)(H,27,29)/t20-,24+/m1/s1.
What are the key properties of N-[(4R)-3,3-dimethyl-4-(2-methylpropyl)piperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide?
N-[(4R)-3,3-dimethyl-4-(2-methylpropyl)piperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide has a molecular weight of 476.64 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,3-dimethyl-4-(2-methylpropyl)piperidin-4-yl]-2-[(3R)-4-(4-methylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetamide is sourced from PubChem (CID 69150777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).