2-[3-[(3-nitrophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

C25H23F3N4O7S — CID 22405603

IUPAC2-[3-[(3-nitrophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C25H23F3N4O7S/c1-15(2)22(23(34)25(26,27)28)29-21(33)14-31-20(16-7-4-3-5-8-16)12-11-19(24(31)35)30-40(38,39)18-10-6-9-17(13-18)32(36)37/h3-13,15,22,30H,14H2,1-2H3,(H,29,33)
InChIKeyUVANIOLGKHNECA-UHFFFAOYSA-N
MW580.54 g/mol
LogP3.50
Rot. Bonds10

About 2-[3-[(3-nitrophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

2-[3-[(3-nitrophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (PubChem CID 22405603) has the molecular formula C25H23F3N4O7S and a molecular weight of 580.54 g/mol. Its IUPAC name is 2-[3-[(3-nitrophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-[(3-nitrophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
PubChem CID22405603
Molecular FormulaC25H23F3N4O7S
Molecular Weight580.54 g/mol
Exact Mass580.12
IUPAC Name2-[3-[(3-nitrophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C25H23F3N4O7S/c1-15(2)22(23(34)25(26,27)28)29-21(33)14-31-20(16-7-4-3-5-8-16)12-11-19(24(31)35)30-40(38,39)18-10-6-9-17(13-18)32(36)37/h3-13,15,22,30H,14H2,1-2H3,(H,29,33)
InChIKeyUVANIOLGKHNECA-UHFFFAOYSA-N
XLogP3.50
TPSA157.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.54
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[3-[(3-nitrophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-nitrophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The IUPAC name of 2-[3-[(3-nitrophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (CID 22405603) is 2-[3-[(3-nitrophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-[3-[(3-nitrophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-[3-[(3-nitrophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1=O)C(=O)C(F)(F)F.
What is the InChIKey of 2-[3-[(3-nitrophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The InChIKey is UVANIOLGKHNECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O7S/c1-15(2)22(23(34)25(26,27)28)29-21(33)14-31-20(16-7-4-3-5-8-16)12-11-19(24(31)35)30-40(38,39)18-10-6-9-17(13-18)32(36)37/h3-13,15,22,30H,14H2,1-2H3,(H,29,33).
What are the key properties of 2-[3-[(3-nitrophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
2-[3-[(3-nitrophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide has a molecular weight of 580.54 g/mol, XLogP of 3.50, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-nitrophenyl)sulfonylamino]-2-oxo-6-phenyl-1-pyridinyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is sourced from PubChem (CID 22405603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).