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

C20H18Cl2FN3O4S — CID 11677483

IUPAC2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)C[C@@H]1C(=O)NC=CN1S(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1
InChIInChI=1S/C20H18Cl2FN3O4S/c1-12(13-5-7-14(23)8-6-13)25-18(27)11-16-20(28)24-9-10-26(16)31(29,30)17-4-2-3-15(21)19(17)22/h2-10,12,16H,11H2,1H3,(H,24,28)(H,25,27)/t12-,16-/m1/s1
InChIKeyKWDSPMQTNKPJJS-MLGOLLRUSA-N
MW486.35 g/mol
LogP3.36
Rot. Bonds6

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

2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 11677483) has the molecular formula C20H18Cl2FN3O4S and a molecular weight of 486.35 g/mol. Its IUPAC name is 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID11677483
Molecular FormulaC20H18Cl2FN3O4S
Molecular Weight486.35 g/mol
Exact Mass485.04
IUPAC Name2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)C[C@@H]1C(=O)NC=CN1S(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1
InChIInChI=1S/C20H18Cl2FN3O4S/c1-12(13-5-7-14(23)8-6-13)25-18(27)11-16-20(28)24-9-10-26(16)31(29,30)17-4-2-3-15(21)19(17)22/h2-10,12,16H,11H2,1H3,(H,24,28)(H,25,27)/t12-,16-/m1/s1
InChIKeyKWDSPMQTNKPJJS-MLGOLLRUSA-N
XLogP3.36
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-{(2S)-1-[(3,4-dichlorobenzyl)amino]-1-oxopropan-2-yl}-1-(phenylsulfonyl)piperidine-4-carboxamide
CID 17585797
1-(2,3-dichlorophenyl)sulfonyl-N-[2-(dimethylamino)-2-phenylethyl]piperidine-4-carboxamide
CID 4884824
N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide
CID 44565414
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 2244184
2-[[(2,5-dichlorophenyl)sulfonyl](methyl)amino]-N-(1-phenylethyl)acetamide
CID 5069609
2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 11705521
4-acetyl-1-(2-chlorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide
CID 25056321
4-acetyl-1-(3-chlorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide
CID 25056847
4-acetyl-1-(3,4-dichlorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide
CID 25057363
1-(2-chlorophenyl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 58702008

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (CID 11677483) is 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is C[C@@H](NC(=O)C[C@@H]1C(=O)NC=CN1S(=O)(=O)c1cccc(Cl)c1Cl)c1ccc(F)cc1.
What is the InChIKey of 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is KWDSPMQTNKPJJS-MLGOLLRUSA-N. The full InChI is InChI=1S/C20H18Cl2FN3O4S/c1-12(13-5-7-14(23)8-6-13)25-18(27)11-16-20(28)24-9-10-26(16)31(29,30)17-4-2-3-15(21)19(17)22/h2-10,12,16H,11H2,1H3,(H,24,28)(H,25,27)/t12-,16-/m1/s1.
What are the key properties of 2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
2-[(3R)-4-(2,3-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 486.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 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-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 11677483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).