N-(7-cyclohexylsulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-(4-methylphenyl)acetamide

C25H29N3O5S — CID 50824157

IUPACN-(7-cyclohexylsulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cc3c(cc2S(=O)(=O)C2CCCCC2)n(C)c(=O)c(=O)n3C)cc1
InChIInChI=1S/C25H29N3O5S/c1-16-9-11-17(12-10-16)13-23(29)26-19-14-20-21(28(3)25(31)24(30)27(20)2)15-22(19)34(32,33)18-7-5-4-6-8-18/h9-12,14-15,18H,4-8,13H2,1-3H3,(H,26,29)
InChIKeyNPCSLXMLWMVEBB-UHFFFAOYSA-N
MW483.59 g/mol
LogP2.83
Rot. Bonds5

About N-(7-cyclohexylsulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-(4-methylphenyl)acetamide

N-(7-cyclohexylsulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-(4-methylphenyl)acetamide (PubChem CID 50824157) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-(7-cyclohexylsulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(7-cyclohexylsulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-(4-methylphenyl)acetamide
PubChem CID50824157
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC NameN-(7-cyclohexylsulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2cc3c(cc2S(=O)(=O)C2CCCCC2)n(C)c(=O)c(=O)n3C)cc1
InChIInChI=1S/C25H29N3O5S/c1-16-9-11-17(12-10-16)13-23(29)26-19-14-20-21(28(3)25(31)24(30)27(20)2)15-22(19)34(32,33)18-7-5-4-6-8-18/h9-12,14-15,18H,4-8,13H2,1-3H3,(H,26,29)
InChIKeyNPCSLXMLWMVEBB-UHFFFAOYSA-N
XLogP2.83
TPSA107.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 52.83
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-(7-cyclohexylsulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-(4-methylphenyl)acetamide?
The IUPAC name of N-(7-cyclohexylsulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-(4-methylphenyl)acetamide (CID 50824157) is N-(7-cyclohexylsulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-(7-cyclohexylsulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-(7-cyclohexylsulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2cc3c(cc2S(=O)(=O)C2CCCCC2)n(C)c(=O)c(=O)n3C)cc1.
What is the InChIKey of N-(7-cyclohexylsulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-(4-methylphenyl)acetamide?
The InChIKey is NPCSLXMLWMVEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-16-9-11-17(12-10-16)13-23(29)26-19-14-20-21(28(3)25(31)24(30)27(20)2)15-22(19)34(32,33)18-7-5-4-6-8-18/h9-12,14-15,18H,4-8,13H2,1-3H3,(H,26,29).
What are the key properties of N-(7-cyclohexylsulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-(4-methylphenyl)acetamide?
N-(7-cyclohexylsulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-(4-methylphenyl)acetamide has a molecular weight of 483.59 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-cyclohexylsulfonyl-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 50824157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).