2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide

C19H18FN3O4S — CID 68679141

IUPAC2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(C[C@@H]1C(=O)NC=CN1S(=O)(=O)c1ccccc1)NCc1cccc(F)c1
InChIInChI=1S/C19H18FN3O4S/c20-15-6-4-5-14(11-15)13-22-18(24)12-17-19(25)21-9-10-23(17)28(26,27)16-7-2-1-3-8-16/h1-11,17H,12-13H2,(H,21,25)(H,22,24)/t17-/m1/s1
InChIKeyIZYLPVOGCPJXAK-QGZVFWFLSA-N
MW403.44 g/mol
LogP1.49
Rot. Bonds6

About 2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide

2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 68679141) has the molecular formula C19H18FN3O4S and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID68679141
Molecular FormulaC19H18FN3O4S
Molecular Weight403.44 g/mol
Exact Mass403.10
IUPAC Name2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
SMILESO=C(C[C@@H]1C(=O)NC=CN1S(=O)(=O)c1ccccc1)NCc1cccc(F)c1
InChIInChI=1S/C19H18FN3O4S/c20-15-6-4-5-14(11-15)13-22-18(24)12-17-19(25)21-9-10-23(17)28(26,27)16-7-2-1-3-8-16/h1-11,17H,12-13H2,(H,21,25)(H,22,24)/t17-/m1/s1
InChIKeyIZYLPVOGCPJXAK-QGZVFWFLSA-N
XLogP1.49
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide (CID 68679141) is 2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide is O=C(C[C@@H]1C(=O)NC=CN1S(=O)(=O)c1ccccc1)NCc1cccc(F)c1.
What is the InChIKey of 2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is IZYLPVOGCPJXAK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18FN3O4S/c20-15-6-4-5-14(11-15)13-22-18(24)12-17-19(25)21-9-10-23(17)28(26,27)16-7-2-1-3-8-16/h1-11,17H,12-13H2,(H,21,25)(H,22,24)/t17-/m1/s1.
What are the key properties of 2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide?
2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 403.44 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-(benzenesulfonyl)-2-oxo-1,3-dihydropyrazin-3-yl]-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 68679141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).