2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-1,3,3-trimethylpiperidin-4-yl]acetamide

C20H26Cl2N4O4S — CID 57396447

IUPAC2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-1,3,3-trimethylpiperidin-4-yl]acetamide
SMILESCN1CC[C@H](NC(=O)C[C@@H]2C(=O)NC=CN2S(=O)(=O)c2cccc(Cl)c2Cl)C(C)(C)C1
InChIInChI=1S/C20H26Cl2N4O4S/c1-20(2)12-25(3)9-7-16(20)24-17(27)11-14-19(28)23-8-10-26(14)31(29,30)15-6-4-5-13(21)18(15)22/h4-6,8,10,14,16H,7,9,11-12H2,1-3H3,(H,23,28)(H,24,27)/t14-,16+/m1/s1
InChIKeyGSKXNWNINZYLJK-ZBFHGGJFSA-N
MW489.43 g/mol
LogP2.19
Rot. Bonds5

About 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-1,3,3-trimethylpiperidin-4-yl]acetamide

2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-1,3,3-trimethylpiperidin-4-yl]acetamide (PubChem CID 57396447) has the molecular formula C20H26Cl2N4O4S and a molecular weight of 489.43 g/mol. Its IUPAC name is 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-1,3,3-trimethylpiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-1,3,3-trimethylpiperidin-4-yl]acetamide
PubChem CID57396447
Molecular FormulaC20H26Cl2N4O4S
Molecular Weight489.43 g/mol
Exact Mass488.11
IUPAC Name2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-1,3,3-trimethylpiperidin-4-yl]acetamide
SMILESCN1CC[C@H](NC(=O)C[C@@H]2C(=O)NC=CN2S(=O)(=O)c2cccc(Cl)c2Cl)C(C)(C)C1
InChIInChI=1S/C20H26Cl2N4O4S/c1-20(2)12-25(3)9-7-16(20)24-17(27)11-14-19(28)23-8-10-26(14)31(29,30)15-6-4-5-13(21)18(15)22/h4-6,8,10,14,16H,7,9,11-12H2,1-3H3,(H,23,28)(H,24,27)/t14-,16+/m1/s1
InChIKeyGSKXNWNINZYLJK-ZBFHGGJFSA-N
XLogP2.19
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide
CID 57398237
2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide
CID 57398238
(3R)-4-(2,3-dichlorophenyl)sulfonyl-3-[2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydropyrazin-2-one
CID 17751422
(3R)-4-(2,3-dichlorophenyl)sulfonyl-3-[2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydropyrazin-2-one
CID 57398239
2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 11677483
2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 11705521
[[2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetyl]-(4-methylpiperazin-1-yl)amino] 3,3,3-trifluoropropanoate
CID 140136728
4-[1-(2,3-Dichlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one
CID 4792979
N-cyclohexyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 17496887
N-cyclohexyl-2-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 17505450
(3R)-3-[2-(azonan-1-yl)-2-oxoethyl]-4-(3,4-dichlorophenyl)sulfonyl-1,3-dihydropyrazin-2-one
CID 11496551
(3R)-3-[2-[(2S)-2-benzylpiperidin-1-yl]-2-oxoethyl]-4-(3,4-dichlorophenyl)sulfonyl-1,3-dihydropyrazin-2-one
CID 11497314

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-1,3,3-trimethylpiperidin-4-yl]acetamide?
The IUPAC name of 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-1,3,3-trimethylpiperidin-4-yl]acetamide (CID 57396447) is 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-1,3,3-trimethylpiperidin-4-yl]acetamide.
What is the SMILES notation for 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-1,3,3-trimethylpiperidin-4-yl]acetamide?
The canonical SMILES for 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-1,3,3-trimethylpiperidin-4-yl]acetamide is CN1CC[C@H](NC(=O)C[C@@H]2C(=O)NC=CN2S(=O)(=O)c2cccc(Cl)c2Cl)C(C)(C)C1.
What is the InChIKey of 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-1,3,3-trimethylpiperidin-4-yl]acetamide?
The InChIKey is GSKXNWNINZYLJK-ZBFHGGJFSA-N. The full InChI is InChI=1S/C20H26Cl2N4O4S/c1-20(2)12-25(3)9-7-16(20)24-17(27)11-14-19(28)23-8-10-26(14)31(29,30)15-6-4-5-13(21)18(15)22/h4-6,8,10,14,16H,7,9,11-12H2,1-3H3,(H,23,28)(H,24,27)/t14-,16+/m1/s1.
What are the key properties of 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-1,3,3-trimethylpiperidin-4-yl]acetamide?
2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-1,3,3-trimethylpiperidin-4-yl]acetamide has a molecular weight of 489.43 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-1,3,3-trimethylpiperidin-4-yl]acetamide is sourced from PubChem (CID 57396447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).