N-[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)sulfamoyl]phenyl]-3-methylbutanamide

C26H33N5O5S — CID 20946713

IUPACN-[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)sulfamoyl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)cc1
InChIInChI=1S/C26H33N5O5S/c1-17(2)14-24(32)27-18-8-10-19(11-9-18)37(35,36)28-20-15-22-23(30(4)26(34)25(33)29(22)3)16-21(20)31-12-6-5-7-13-31/h8-11,15-17,28H,5-7,12-14H2,1-4H3,(H,27,32)
InChIKeyKPGILPHVGWOKFS-UHFFFAOYSA-N
MW527.65 g/mol
LogP3.01
Rot. Bonds7

About N-[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)sulfamoyl]phenyl]-3-methylbutanamide

N-[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)sulfamoyl]phenyl]-3-methylbutanamide (PubChem CID 20946713) has the molecular formula C26H33N5O5S and a molecular weight of 527.65 g/mol. Its IUPAC name is N-[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)sulfamoyl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)sulfamoyl]phenyl]-3-methylbutanamide
PubChem CID20946713
Molecular FormulaC26H33N5O5S
Molecular Weight527.65 g/mol
Exact Mass527.22
IUPAC NameN-[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)sulfamoyl]phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)cc1
InChIInChI=1S/C26H33N5O5S/c1-17(2)14-24(32)27-18-8-10-19(11-9-18)37(35,36)28-20-15-22-23(30(4)26(34)25(33)29(22)3)16-21(20)31-12-6-5-7-13-31/h8-11,15-17,28H,5-7,12-14H2,1-4H3,(H,27,32)
InChIKeyKPGILPHVGWOKFS-UHFFFAOYSA-N
XLogP3.01
TPSA122.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.65
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)sulfamoyl]phenyl]-3-methylbutanamide with MolForge

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Related Compounds

4-bromo-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)benzenesulfonamide
CID 20946710
N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluorobenzenesulfonamide
CID 20946704
N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 22433280
3-methyl-N-(2-piperidin-1-yl-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 52891957
4-[[4-(3-methylbutanoylamino)phenyl]sulfamoyl]benzoic acid
CID 55542289
3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide
CID 54815187
N-[4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]-3-methylbutanamide
CID 56560691
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 15990108
N-[4-(3-methylbutanoylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1116699
2-cyclohexyl-N-(1,4-dimethyl-2,3-dioxo-7-pyrrolidin-1-ylquinoxalin-6-yl)acetamide
CID 50820460
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-piperidin-1-ylacetamide
CID 51686284
N-butan-2-yl-3-[(4-methylphenyl)sulfonylamino]-4-piperidin-1-ylbenzamide
CID 5164711

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)sulfamoyl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)sulfamoyl]phenyl]-3-methylbutanamide (CID 20946713) is N-[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)sulfamoyl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)sulfamoyl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)sulfamoyl]phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(S(=O)(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)c(=O)n3C)cc1.
What is the InChIKey of N-[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)sulfamoyl]phenyl]-3-methylbutanamide?
The InChIKey is KPGILPHVGWOKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O5S/c1-17(2)14-24(32)27-18-8-10-19(11-9-18)37(35,36)28-20-15-22-23(30(4)26(34)25(33)29(22)3)16-21(20)31-12-6-5-7-13-31/h8-11,15-17,28H,5-7,12-14H2,1-4H3,(H,27,32).
What are the key properties of N-[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)sulfamoyl]phenyl]-3-methylbutanamide?
N-[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)sulfamoyl]phenyl]-3-methylbutanamide has a molecular weight of 527.65 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxalin-6-yl)sulfamoyl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 20946713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).