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

C20H19Cl2N3O4S — CID 11503705

IUPAC2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(C[C@@H]1C(=O)NC=CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccccc1
InChIInChI=1S/C20H19Cl2N3O4S/c21-16-7-6-15(12-17(16)22)30(28,29)25-11-10-24-20(27)18(25)13-19(26)23-9-8-14-4-2-1-3-5-14/h1-7,10-12,18H,8-9,13H2,(H,23,26)(H,24,27)/t18-/m1/s1
InChIKeyRRNDJJPEPZXANR-GOSISDBHSA-N
MW468.36 g/mol
LogP2.70
Rot. Bonds7

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

2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(2-phenylethyl)acetamide (PubChem CID 11503705) has the molecular formula C20H19Cl2N3O4S and a molecular weight of 468.36 g/mol. Its IUPAC name is 2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(2-phenylethyl)acetamide
PubChem CID11503705
Molecular FormulaC20H19Cl2N3O4S
Molecular Weight468.36 g/mol
Exact Mass467.05
IUPAC Name2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(C[C@@H]1C(=O)NC=CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccccc1
InChIInChI=1S/C20H19Cl2N3O4S/c21-16-7-6-15(12-17(16)22)30(28,29)25-11-10-24-20(27)18(25)13-19(26)23-9-8-14-4-2-1-3-5-14/h1-7,10-12,18H,8-9,13H2,(H,23,26)(H,24,27)/t18-/m1/s1
InChIKeyRRNDJJPEPZXANR-GOSISDBHSA-N
XLogP2.70
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.36
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(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
N,N'-dibenzyl-2-[(3,4-dichlorophenyl)sulfonylamino]pentanediamide
CID 44565414
(3S)-3-[(3,4-dichlorophenyl)sulfonylamino]-4-oxo-4-(2-phenylethylamino)butanoic acid
CID 44284648
3-Benzyl-1-(butan-2-YL)-8-(3,4-dichlorobenzenesulfonyl)-1,4,8-triazaspiro[4.5]decan-2-one
CID 45987972
(2S)-2-benzyl-8-(3,4-dichlorophenyl)sulfonyl-4-propyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 93145982
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
4-acetyl-1-(3,4-dichlorophenyl)sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide
CID 25057363
N-benzyl-1-((4-chlorophenyl)sulfonyl)piperazine-2-carboxamide
CID 166637094
N1-(2-(1-((4-chlorophenyl)sulfonyl)piperidin-2-yl)ethyl)-N2-(4-fluorophenethyl)oxalamide
CID 18574497

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(2-phenylethyl)acetamide (CID 11503705) is 2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(2-phenylethyl)acetamide is O=C(C[C@@H]1C(=O)NC=CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCc1ccccc1.
What is the InChIKey of 2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is RRNDJJPEPZXANR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19Cl2N3O4S/c21-16-7-6-15(12-17(16)22)30(28,29)25-11-10-24-20(27)18(25)13-19(26)23-9-8-14-4-2-1-3-5-14/h1-7,10-12,18H,8-9,13H2,(H,23,26)(H,24,27)/t18-/m1/s1.
What are the key properties of 2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(2-phenylethyl)acetamide?
2-[(3R)-4-(3,4-dichlorophenyl)sulfonyl-2-oxo-1,3-dihydropyrazin-3-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 468.36 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 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-(2-phenylethyl)acetamide is sourced from PubChem (CID 11503705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).