2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide

C25H24Cl2N4O4S — CID 69035613

IUPAC2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCCN(CCc1ccncc1)C(=O)C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C25H24Cl2N4O4S/c1-2-30(15-12-17-10-13-28-14-11-17)23(32)16-21-25(33)29-19-7-3-4-8-20(19)31(21)36(34,35)22-9-5-6-18(26)24(22)27/h3-11,13-14,21H,2,12,15-16H2,1H3,(H,29,33)/t21-/m1/s1
InChIKeyUCHPXIROKXBXNO-OAQYLSRUSA-N
MW547.46 g/mol
LogP4.39
Rot. Bonds8

About 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide

2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 69035613) has the molecular formula C25H24Cl2N4O4S and a molecular weight of 547.46 g/mol. Its IUPAC name is 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID69035613
Molecular FormulaC25H24Cl2N4O4S
Molecular Weight547.46 g/mol
Exact Mass546.09
IUPAC Name2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCCN(CCc1ccncc1)C(=O)C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C25H24Cl2N4O4S/c1-2-30(15-12-17-10-13-28-14-11-17)23(32)16-21-25(33)29-19-7-3-4-8-20(19)31(21)36(34,35)22-9-5-6-18(26)24(22)27/h3-11,13-14,21H,2,12,15-16H2,1H3,(H,29,33)/t21-/m1/s1
InChIKeyUCHPXIROKXBXNO-OAQYLSRUSA-N
XLogP4.39
TPSA99.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide (CID 69035613) is 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide is CCN(CCc1ccncc1)C(=O)C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is UCHPXIROKXBXNO-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24Cl2N4O4S/c1-2-30(15-12-17-10-13-28-14-11-17)23(32)16-21-25(33)29-19-7-3-4-8-20(19)31(21)36(34,35)22-9-5-6-18(26)24(22)27/h3-11,13-14,21H,2,12,15-16H2,1H3,(H,29,33)/t21-/m1/s1.
What are the key properties of 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide?
2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 547.46 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2,3-dichlorophenyl)sulfonyl-3-oxo-2,4-dihydroquinoxalin-2-yl]-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 69035613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).