5-(2,6-dimethylphenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide

C22H24N2O3S — CID 59808198

IUPAC5-(2,6-dimethylphenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
SMILESCc1cccc(C)c1-c1c(C)c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn1C
InChIInChI=1S/C22H24N2O3S/c1-14-7-6-8-15(2)20(14)21-16(3)19(13-24(21)4)22(25)23-17-9-11-18(12-10-17)28(5,26)27/h6-13H,1-5H3,(H,23,25)
InChIKeySAOXOKRUWJSVCO-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.27
Rot. Bonds4

About 5-(2,6-dimethylphenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide

5-(2,6-dimethylphenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide (PubChem CID 59808198) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2,6-dimethylphenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
PubChem CID59808198
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name5-(2,6-dimethylphenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
SMILESCc1cccc(C)c1-c1c(C)c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn1C
InChIInChI=1S/C22H24N2O3S/c1-14-7-6-8-15(2)20(14)21-16(3)19(13-24(21)4)22(25)23-17-9-11-18(12-10-17)28(5,26)27/h6-13H,1-5H3,(H,23,25)
InChIKeySAOXOKRUWJSVCO-UHFFFAOYSA-N
XLogP4.27
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 59807934
1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-(2-propan-2-yloxyphenyl)pyrrole-3-carboxamide
CID 59807932
5-[3,5-bis(trifluoromethyl)phenyl]-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 87236285
2-hydroxy-3-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 29268979
5-[2-(benzylcarbamoyl)phenyl]-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 142762448
4-methyl-N-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxamide
CID 67377491
4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 107671551
2,3-dimethyl-N-(4-sulfamoylphenyl)benzamide
CID 2814172
2-amino-3-methyl-N-(4-sulfamoylphenyl)benzamide
CID 28554911
5-[2,3-dimethyl-6-(trifluoromethyl)phenyl]-1-(2-hydroxyethyl)-4-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 135157756
5-(2,6-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 59807710
2-bromo-5-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 81003356

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylphenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(2,6-dimethylphenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide (CID 59808198) is 5-(2,6-dimethylphenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2,6-dimethylphenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(2,6-dimethylphenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide is Cc1cccc(C)c1-c1c(C)c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn1C.
What is the InChIKey of 5-(2,6-dimethylphenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide?
The InChIKey is SAOXOKRUWJSVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-14-7-6-8-15(2)20(14)21-16(3)19(13-24(21)4)22(25)23-17-9-11-18(12-10-17)28(5,26)27/h6-13H,1-5H3,(H,23,25).
What are the key properties of 5-(2,6-dimethylphenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide?
5-(2,6-dimethylphenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylphenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 59808198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).