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

C19H24Cl2N4O4S — CID 57398237

IUPAC2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide
SMILESCC1(C)CNCC[C@@H]1NC(=O)C[C@@H]1C(=O)NC=CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H24Cl2N4O4S/c1-19(2)11-22-6-5-16(19)24-17(26)10-15-18(27)23-7-8-25(15)30(28,29)12-3-4-13(20)14(21)9-12/h3-4,7-9,15-16,22H,5-6,10-11H2,1-2H3,(H,23,27)(H,24,26)/t15-,16+/m1/s1
InChIKeyIUWAZKSDZNHLIC-CVEARBPZSA-N
MW475.40 g/mol
LogP1.85
Rot. Bonds5

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

2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide (PubChem CID 57398237) has the molecular formula C19H24Cl2N4O4S and a molecular weight of 475.40 g/mol. Its IUPAC name is 2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide
PubChem CID57398237
Molecular FormulaC19H24Cl2N4O4S
Molecular Weight475.40 g/mol
Exact Mass474.09
IUPAC Name2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide
SMILESCC1(C)CNCC[C@@H]1NC(=O)C[C@@H]1C(=O)NC=CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H24Cl2N4O4S/c1-19(2)11-22-6-5-16(19)24-17(26)10-15-18(27)23-7-8-25(15)30(28,29)12-3-4-13(20)14(21)9-12/h3-4,7-9,15-16,22H,5-6,10-11H2,1-2H3,(H,23,27)(H,24,26)/t15-,16+/m1/s1
InChIKeyIUWAZKSDZNHLIC-CVEARBPZSA-N
XLogP1.85
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.40
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-1,3,3-trimethylpiperidin-4-yl]acetamide
CID 57391173
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
2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide
CID 57398238
2-[(3R)-4-(4-chloro-2,5-dimethylphenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide
CID 57401664
(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
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
2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(2-phenylethyl)acetamide
CID 11503705
2-[4-[2-[(3S)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]acetyl]piperazin-1-yl]acetonitrile
CID 11503770
(3R)-3-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-4-(3,4-dichlorophenyl)sulfonyl-1,3-dihydropyrazin-2-one
CID 11504030

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide?
The IUPAC name of 2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide (CID 57398237) is 2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide.
What is the SMILES notation for 2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide?
The canonical SMILES for 2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide is CC1(C)CNCC[C@@H]1NC(=O)C[C@@H]1C(=O)NC=CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide?
The InChIKey is IUWAZKSDZNHLIC-CVEARBPZSA-N. The full InChI is InChI=1S/C19H24Cl2N4O4S/c1-19(2)11-22-6-5-16(19)24-17(26)10-15-18(27)23-7-8-25(15)30(28,29)12-3-4-13(20)14(21)9-12/h3-4,7-9,15-16,22H,5-6,10-11H2,1-2H3,(H,23,27)(H,24,26)/t15-,16+/m1/s1.
What are the key properties of 2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide?
2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide has a molecular weight of 475.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide is sourced from PubChem (CID 57398237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).