2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-4-methyl-3-oxo-2H-quinoxalin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide

C28H27Cl2N5O4S — CID 11296356

IUPAC2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-4-methyl-3-oxo-2H-quinoxalin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide
SMILESCN1C(=O)[C@@H](CC(=O)NCCc2ccc(C3=NCCN3)cc2)N(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C28H27Cl2N5O4S/c1-34-23-4-2-3-5-24(23)35(40(38,39)20-10-11-21(29)22(30)16-20)25(28(34)37)17-26(36)31-13-12-18-6-8-19(9-7-18)27-32-14-15-33-27/h2-11,16,25H,12-15,17H2,1H3,(H,31,36)(H,32,33)/t25-/m1/s1
InChIKeyKOQVGHYGPWSMBY-RUZDIDTESA-N
MW600.53 g/mol
LogP3.63
Rot. Bonds8

About 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-4-methyl-3-oxo-2H-quinoxalin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide

2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-4-methyl-3-oxo-2H-quinoxalin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide (PubChem CID 11296356) has the molecular formula C28H27Cl2N5O4S and a molecular weight of 600.53 g/mol. Its IUPAC name is 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-4-methyl-3-oxo-2H-quinoxalin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-4-methyl-3-oxo-2H-quinoxalin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide
PubChem CID11296356
Molecular FormulaC28H27Cl2N5O4S
Molecular Weight600.53 g/mol
Exact Mass599.12
IUPAC Name2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-4-methyl-3-oxo-2H-quinoxalin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide
SMILESCN1C(=O)[C@@H](CC(=O)NCCc2ccc(C3=NCCN3)cc2)N(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIInChI=1S/C28H27Cl2N5O4S/c1-34-23-4-2-3-5-24(23)35(40(38,39)20-10-11-21(29)22(30)16-20)25(28(34)37)17-26(36)31-13-12-18-6-8-19(9-7-18)27-32-14-15-33-27/h2-11,16,25H,12-15,17H2,1H3,(H,31,36)(H,32,33)/t25-/m1/s1
InChIKeyKOQVGHYGPWSMBY-RUZDIDTESA-N
XLogP3.63
TPSA111.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.53
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-4-methyl-3-oxo-2H-quinoxalin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-4-methyl-3-oxo-2H-quinoxalin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide?
The IUPAC name of 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-4-methyl-3-oxo-2H-quinoxalin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide (CID 11296356) is 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-4-methyl-3-oxo-2H-quinoxalin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-4-methyl-3-oxo-2H-quinoxalin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-4-methyl-3-oxo-2H-quinoxalin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide is CN1C(=O)[C@@H](CC(=O)NCCc2ccc(C3=NCCN3)cc2)N(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21.
What is the InChIKey of 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-4-methyl-3-oxo-2H-quinoxalin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide?
The InChIKey is KOQVGHYGPWSMBY-RUZDIDTESA-N. The full InChI is InChI=1S/C28H27Cl2N5O4S/c1-34-23-4-2-3-5-24(23)35(40(38,39)20-10-11-21(29)22(30)16-20)25(28(34)37)17-26(36)31-13-12-18-6-8-19(9-7-18)27-32-14-15-33-27/h2-11,16,25H,12-15,17H2,1H3,(H,31,36)(H,32,33)/t25-/m1/s1.
What are the key properties of 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-4-methyl-3-oxo-2H-quinoxalin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide?
2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-4-methyl-3-oxo-2H-quinoxalin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide has a molecular weight of 600.53 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(3,4-dichlorophenyl)sulfonyl-4-methyl-3-oxo-2H-quinoxalin-2-yl]-N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 11296356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).