2-oxo-N-[2-oxo-1-phenyl-3-(2,4,6-trimethylphenyl)propyl]-1H-quinoline-6-sulfonamide

C27H26N2O4S — CID 158743185

IUPAC2-oxo-N-[2-oxo-1-phenyl-3-(2,4,6-trimethylphenyl)propyl]-1H-quinoline-6-sulfonamide
SMILESCc1cc(C)c(CC(=O)C(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c2ccccc2)c(C)c1
InChIInChI=1S/C27H26N2O4S/c1-17-13-18(2)23(19(3)14-17)16-25(30)27(20-7-5-4-6-8-20)29-34(32,33)22-10-11-24-21(15-22)9-12-26(31)28-24/h4-15,27,29H,16H2,1-3H3,(H,28,31)
InChIKeyVTNPMXMXOGQNNE-UHFFFAOYSA-N
MW474.58 g/mol
LogP4.28
Rot. Bonds7

About 2-oxo-N-[2-oxo-1-phenyl-3-(2,4,6-trimethylphenyl)propyl]-1H-quinoline-6-sulfonamide

2-oxo-N-[2-oxo-1-phenyl-3-(2,4,6-trimethylphenyl)propyl]-1H-quinoline-6-sulfonamide (PubChem CID 158743185) has the molecular formula C27H26N2O4S and a molecular weight of 474.58 g/mol. Its IUPAC name is 2-oxo-N-[2-oxo-1-phenyl-3-(2,4,6-trimethylphenyl)propyl]-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[2-oxo-1-phenyl-3-(2,4,6-trimethylphenyl)propyl]-1H-quinoline-6-sulfonamide
PubChem CID158743185
Molecular FormulaC27H26N2O4S
Molecular Weight474.58 g/mol
Exact Mass474.16
IUPAC Name2-oxo-N-[2-oxo-1-phenyl-3-(2,4,6-trimethylphenyl)propyl]-1H-quinoline-6-sulfonamide
SMILESCc1cc(C)c(CC(=O)C(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c2ccccc2)c(C)c1
InChIInChI=1S/C27H26N2O4S/c1-17-13-18(2)23(19(3)14-17)16-25(30)27(20-7-5-4-6-8-20)29-34(32,33)22-10-11-24-21(15-22)9-12-26(31)28-24/h4-15,27,29H,16H2,1-3H3,(H,28,31)
InChIKeyVTNPMXMXOGQNNE-UHFFFAOYSA-N
XLogP4.28
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-oxo-1-phenyl-3-(2,4,6-trimethylphenyl)propyl]-1H-quinoline-6-sulfonamide?
The IUPAC name of 2-oxo-N-[2-oxo-1-phenyl-3-(2,4,6-trimethylphenyl)propyl]-1H-quinoline-6-sulfonamide (CID 158743185) is 2-oxo-N-[2-oxo-1-phenyl-3-(2,4,6-trimethylphenyl)propyl]-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-[2-oxo-1-phenyl-3-(2,4,6-trimethylphenyl)propyl]-1H-quinoline-6-sulfonamide?
The canonical SMILES for 2-oxo-N-[2-oxo-1-phenyl-3-(2,4,6-trimethylphenyl)propyl]-1H-quinoline-6-sulfonamide is Cc1cc(C)c(CC(=O)C(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c2ccccc2)c(C)c1.
What is the InChIKey of 2-oxo-N-[2-oxo-1-phenyl-3-(2,4,6-trimethylphenyl)propyl]-1H-quinoline-6-sulfonamide?
The InChIKey is VTNPMXMXOGQNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4S/c1-17-13-18(2)23(19(3)14-17)16-25(30)27(20-7-5-4-6-8-20)29-34(32,33)22-10-11-24-21(15-22)9-12-26(31)28-24/h4-15,27,29H,16H2,1-3H3,(H,28,31).
What are the key properties of 2-oxo-N-[2-oxo-1-phenyl-3-(2,4,6-trimethylphenyl)propyl]-1H-quinoline-6-sulfonamide?
2-oxo-N-[2-oxo-1-phenyl-3-(2,4,6-trimethylphenyl)propyl]-1H-quinoline-6-sulfonamide has a molecular weight of 474.58 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-oxo-1-phenyl-3-(2,4,6-trimethylphenyl)propyl]-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 158743185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).