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

C19H24Cl2N4O4S — CID 57398238

IUPAC2-[(3R)-4-(2,3-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)c1cccc(Cl)c1Cl
InChIInChI=1S/C19H24Cl2N4O4S/c1-19(2)11-22-7-6-15(19)24-16(26)10-13-18(27)23-8-9-25(13)30(28,29)14-5-3-4-12(20)17(14)21/h3-5,8-9,13,15,22H,6-7,10-11H2,1-2H3,(H,23,27)(H,24,26)/t13-,15+/m1/s1
InChIKeyGBXMNWGADOOBHA-HIFRSBDPSA-N
MW475.40 g/mol
LogP1.85
Rot. Bonds5

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

2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide (PubChem CID 57398238) has the molecular formula C19H24Cl2N4O4S and a molecular weight of 475.40 g/mol. Its IUPAC name is 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide
PubChem CID57398238
Molecular FormulaC19H24Cl2N4O4S
Molecular Weight475.40 g/mol
Exact Mass474.09
IUPAC Name2-[(3R)-4-(2,3-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)c1cccc(Cl)c1Cl
InChIInChI=1S/C19H24Cl2N4O4S/c1-19(2)11-22-7-6-15(19)24-16(26)10-13-18(27)23-8-9-25(13)30(28,29)14-5-3-4-12(20)17(14)21/h3-5,8-9,13,15,22H,6-7,10-11H2,1-2H3,(H,23,27)(H,24,26)/t13-,15+/m1/s1
InChIKeyGBXMNWGADOOBHA-HIFRSBDPSA-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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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)-3,3-dimethylpiperidin-4-yl]acetamide?
The IUPAC name of 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide (CID 57398238) is 2-[(3R)-4-(2,3-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-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide?
The canonical SMILES for 2-[(3R)-4-(2,3-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)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide?
The InChIKey is GBXMNWGADOOBHA-HIFRSBDPSA-N. The full InChI is InChI=1S/C19H24Cl2N4O4S/c1-19(2)11-22-7-6-15(19)24-16(26)10-13-18(27)23-8-9-25(13)30(28,29)14-5-3-4-12(20)17(14)21/h3-5,8-9,13,15,22H,6-7,10-11H2,1-2H3,(H,23,27)(H,24,26)/t13-,15+/m1/s1.
What are the key properties of 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide?
2-[(3R)-4-(2,3-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-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(4S)-3,3-dimethylpiperidin-4-yl]acetamide is sourced from PubChem (CID 57398238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).