N-[4-[[4-acetyl-5-methyl-2-oxo-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrol-3-yl]sulfamoyl]phenyl]acetamide

C25H26F3N3O5S — CID 2966590

IUPACN-[4-[[4-acetyl-5-methyl-2-oxo-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2(C(F)(F)F)C(=O)N(c3ccc(C(C)C)cc3)C(C)=C2C(C)=O)cc1
InChIInChI=1S/C25H26F3N3O5S/c1-14(2)18-6-10-20(11-7-18)31-15(3)22(16(4)32)24(23(31)34,25(26,27)28)30-37(35,36)21-12-8-19(9-13-21)29-17(5)33/h6-14,30H,1-5H3,(H,29,33)
InChIKeyHESKXIFJTZQRBS-UHFFFAOYSA-N
MW537.56 g/mol
LogP4.26
Rot. Bonds7

About N-[4-[[4-acetyl-5-methyl-2-oxo-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrol-3-yl]sulfamoyl]phenyl]acetamide

N-[4-[[4-acetyl-5-methyl-2-oxo-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrol-3-yl]sulfamoyl]phenyl]acetamide (PubChem CID 2966590) has the molecular formula C25H26F3N3O5S and a molecular weight of 537.56 g/mol. Its IUPAC name is N-[4-[[4-acetyl-5-methyl-2-oxo-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrol-3-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-acetyl-5-methyl-2-oxo-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrol-3-yl]sulfamoyl]phenyl]acetamide
PubChem CID2966590
Molecular FormulaC25H26F3N3O5S
Molecular Weight537.56 g/mol
Exact Mass537.15
IUPAC NameN-[4-[[4-acetyl-5-methyl-2-oxo-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrol-3-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NC2(C(F)(F)F)C(=O)N(c3ccc(C(C)C)cc3)C(C)=C2C(C)=O)cc1
InChIInChI=1S/C25H26F3N3O5S/c1-14(2)18-6-10-20(11-7-18)31-15(3)22(16(4)32)24(23(31)34,25(26,27)28)30-37(35,36)21-12-8-19(9-13-21)29-17(5)33/h6-14,30H,1-5H3,(H,29,33)
InChIKeyHESKXIFJTZQRBS-UHFFFAOYSA-N
XLogP4.26
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.56
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-acetyl-5-methyl-2-oxo-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrol-3-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-acetyl-5-methyl-2-oxo-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrol-3-yl]sulfamoyl]phenyl]acetamide (CID 2966590) is N-[4-[[4-acetyl-5-methyl-2-oxo-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrol-3-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-acetyl-5-methyl-2-oxo-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrol-3-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-acetyl-5-methyl-2-oxo-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrol-3-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NC2(C(F)(F)F)C(=O)N(c3ccc(C(C)C)cc3)C(C)=C2C(C)=O)cc1.
What is the InChIKey of N-[4-[[4-acetyl-5-methyl-2-oxo-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrol-3-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is HESKXIFJTZQRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O5S/c1-14(2)18-6-10-20(11-7-18)31-15(3)22(16(4)32)24(23(31)34,25(26,27)28)30-37(35,36)21-12-8-19(9-13-21)29-17(5)33/h6-14,30H,1-5H3,(H,29,33).
What are the key properties of N-[4-[[4-acetyl-5-methyl-2-oxo-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrol-3-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-acetyl-5-methyl-2-oxo-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrol-3-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 537.56 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-acetyl-5-methyl-2-oxo-1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrrol-3-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2966590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).