N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-4-propylbenzenesulfonamide

C25H25N3O5S — CID 50792964

IUPACN-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)c(=O)n3C)cc1
InChIInChI=1S/C25H25N3O5S/c1-4-8-17-11-13-19(14-12-17)34(31,32)26-20-15-21-22(28(3)25(30)24(29)27(21)2)16-23(20)33-18-9-6-5-7-10-18/h5-7,9-16,26H,4,8H2,1-3H3
InChIKeyKFJOZVOUUWXCMU-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.78
Rot. Bonds7

About N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-4-propylbenzenesulfonamide

N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-4-propylbenzenesulfonamide (PubChem CID 50792964) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-4-propylbenzenesulfonamide
PubChem CID50792964
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC NameN-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)c(=O)n3C)cc1
InChIInChI=1S/C25H25N3O5S/c1-4-8-17-11-13-19(14-12-17)34(31,32)26-20-15-21-22(28(3)25(30)24(29)27(21)2)16-23(20)33-18-9-6-5-7-10-18/h5-7,9-16,26H,4,8H2,1-3H3
InChIKeyKFJOZVOUUWXCMU-UHFFFAOYSA-N
XLogP3.78
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-4-propylbenzenesulfonamide (CID 50792964) is N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)c(=O)n3C)cc1.
What is the InChIKey of N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-4-propylbenzenesulfonamide?
The InChIKey is KFJOZVOUUWXCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-4-8-17-11-13-19(14-12-17)34(31,32)26-20-15-21-22(28(3)25(30)24(29)27(21)2)16-23(20)33-18-9-6-5-7-10-18/h5-7,9-16,26H,4,8H2,1-3H3.
What are the key properties of N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-4-propylbenzenesulfonamide?
N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-4-propylbenzenesulfonamide has a molecular weight of 479.56 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethyl-2,3-dioxo-7-phenoxyquinoxalin-6-yl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 50792964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).