5-(2,6-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

C25H21F2N3O3S — CID 59807710

IUPAC5-(2,6-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(Cc2ccccn2)c1-c1c(F)cccc1F
InChIInChI=1S/C25H21F2N3O3S/c1-16-20(25(31)29-17-9-11-19(12-10-17)34(2,32)33)15-30(14-18-6-3-4-13-28-18)24(16)23-21(26)7-5-8-22(23)27/h3-13,15H,14H2,1-2H3,(H,29,31)
InChIKeyJZFPRPJSSSVPEE-UHFFFAOYSA-N
MW481.52 g/mol
LogP4.84
Rot. Bonds6

About 5-(2,6-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide

5-(2,6-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 59807710) has the molecular formula C25H21F2N3O3S and a molecular weight of 481.52 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID59807710
Molecular FormulaC25H21F2N3O3S
Molecular Weight481.52 g/mol
Exact Mass481.13
IUPAC Name5-(2,6-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(Cc2ccccn2)c1-c1c(F)cccc1F
InChIInChI=1S/C25H21F2N3O3S/c1-16-20(25(31)29-17-9-11-19(12-10-17)34(2,32)33)15-30(14-18-6-3-4-13-28-18)24(16)23-21(26)7-5-8-22(23)27/h3-13,15H,14H2,1-2H3,(H,29,31)
InChIKeyJZFPRPJSSSVPEE-UHFFFAOYSA-N
XLogP4.84
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methoxyphenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 59808179
1-(4-hydroxybutyl)-4-methyl-N-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 58538835
5-(2,6-dimethylphenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 59808198
5-[2,3-dimethyl-6-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)-4-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 135157756
4-methyl-N-(4-methylsulfonylphenyl)-1-(2-phenylmethoxyethyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 174214288
1-(2-hydroxy-3-phenoxypropyl)-4-methyl-5-(2-methylphenyl)-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 59807960
2,3-difluoro-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
CID 105380278
1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-(2-propan-2-yloxyphenyl)pyrrole-3-carboxamide
CID 59807932
5-[2-(benzylcarbamoyl)phenyl]-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 142762448
2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 29268979
6-methyl-4-oxo-3-(pyridin-2-ylmethyl)-N-(4-sulfamoylphenyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 71035495
2-bromo-6-fluoro-N-(4-methylsulfonylphenyl)benzamide
CID 115678157

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(2,6-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (CID 59807710) is 5-(2,6-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2,6-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(2,6-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(Cc2ccccn2)c1-c1c(F)cccc1F.
What is the InChIKey of 5-(2,6-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is JZFPRPJSSSVPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O3S/c1-16-20(25(31)29-17-9-11-19(12-10-17)34(2,32)33)15-30(14-18-6-3-4-13-28-18)24(16)23-21(26)7-5-8-22(23)27/h3-13,15H,14H2,1-2H3,(H,29,31).
What are the key properties of 5-(2,6-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
5-(2,6-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 481.52 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 59807710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).