2-[(2R)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]acetamide

C30H33ClN6O5S — CID 69037965

IUPAC2-[(2R)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]acetamide
SMILESCc1cc(S(=O)(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)NCCC2CCN(C(=O)c3cnccn3)CC2)c(C)cc1Cl
InChIInChI=1S/C30H33ClN6O5S/c1-19-16-27(20(2)15-22(19)31)43(41,42)37-25-6-4-3-5-23(25)35-29(39)26(37)17-28(38)34-10-7-21-8-13-36(14-9-21)30(40)24-18-32-11-12-33-24/h3-6,11-12,15-16,18,21,26H,7-10,13-14,17H2,1-2H3,(H,34,38)(H,35,39)/t26-/m1/s1
InChIKeyYPMPWNZFFQXDPR-AREMUKBSSA-N
MW625.15 g/mol
LogP3.71
Rot. Bonds8

About 2-[(2R)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]acetamide

2-[(2R)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]acetamide (PubChem CID 69037965) has the molecular formula C30H33ClN6O5S and a molecular weight of 625.15 g/mol. Its IUPAC name is 2-[(2R)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]acetamide
PubChem CID69037965
Molecular FormulaC30H33ClN6O5S
Molecular Weight625.15 g/mol
Exact Mass624.19
IUPAC Name2-[(2R)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]acetamide
SMILESCc1cc(S(=O)(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)NCCC2CCN(C(=O)c3cnccn3)CC2)c(C)cc1Cl
InChIInChI=1S/C30H33ClN6O5S/c1-19-16-27(20(2)15-22(19)31)43(41,42)37-25-6-4-3-5-23(25)35-29(39)26(37)17-28(38)34-10-7-21-8-13-36(14-9-21)30(40)24-18-32-11-12-33-24/h3-6,11-12,15-16,18,21,26H,7-10,13-14,17H2,1-2H3,(H,34,38)(H,35,39)/t26-/m1/s1
InChIKeyYPMPWNZFFQXDPR-AREMUKBSSA-N
XLogP3.71
TPSA141.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500625.15
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(2R)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]acetamide?
The IUPAC name of 2-[(2R)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]acetamide (CID 69037965) is 2-[(2R)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]acetamide.
What is the SMILES notation for 2-[(2R)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]acetamide?
The canonical SMILES for 2-[(2R)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]acetamide is Cc1cc(S(=O)(=O)N2c3ccccc3NC(=O)[C@H]2CC(=O)NCCC2CCN(C(=O)c3cnccn3)CC2)c(C)cc1Cl.
What is the InChIKey of 2-[(2R)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]acetamide?
The InChIKey is YPMPWNZFFQXDPR-AREMUKBSSA-N. The full InChI is InChI=1S/C30H33ClN6O5S/c1-19-16-27(20(2)15-22(19)31)43(41,42)37-25-6-4-3-5-23(25)35-29(39)26(37)17-28(38)34-10-7-21-8-13-36(14-9-21)30(40)24-18-32-11-12-33-24/h3-6,11-12,15-16,18,21,26H,7-10,13-14,17H2,1-2H3,(H,34,38)(H,35,39)/t26-/m1/s1.
What are the key properties of 2-[(2R)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]acetamide?
2-[(2R)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]acetamide has a molecular weight of 625.15 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(4-chloro-2,5-dimethylphenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-[2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 69037965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).