5-(2-methoxyphenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-3-ylmethyl)pyrrole-3-carboxamide

C26H25N3O4S — CID 59808179

IUPAC5-(2-methoxyphenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
SMILESCOc1ccccc1-c1c(C)c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn1Cc1cccnc1
InChIInChI=1S/C26H25N3O4S/c1-18-23(26(30)28-20-10-12-21(13-11-20)34(3,31)32)17-29(16-19-7-6-14-27-15-19)25(18)22-8-4-5-9-24(22)33-2/h4-15,17H,16H2,1-3H3,(H,28,30)
InChIKeyHSDKHZXZIFNPMN-UHFFFAOYSA-N
MW475.57 g/mol
LogP4.57
Rot. Bonds7

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

5-(2-methoxyphenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-3-ylmethyl)pyrrole-3-carboxamide (PubChem CID 59808179) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-3-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
PubChem CID59808179
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC Name5-(2-methoxyphenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
SMILESCOc1ccccc1-c1c(C)c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn1Cc1cccnc1
InChIInChI=1S/C26H25N3O4S/c1-18-23(26(30)28-20-10-12-21(13-11-20)34(3,31)32)17-29(16-19-7-6-14-27-15-19)25(18)22-8-4-5-9-24(22)33-2/h4-15,17H,16H2,1-3H3,(H,28,30)
InChIKeyHSDKHZXZIFNPMN-UHFFFAOYSA-N
XLogP4.57
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-(2-propan-2-yloxyphenyl)pyrrole-3-carboxamide
CID 59807932
5-(2,6-difluorophenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 59807710
1-(2-hydroxy-3-phenoxypropyl)-4-methyl-5-(2-methylphenyl)-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 59807960
4-methyl-N-(4-methylsulfonylphenyl)-1-(2-phenylmethoxyethyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 174214288
5-[2-(benzylcarbamoyl)phenyl]-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 142762448
2-methoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 92646313
1-(4-hydroxybutyl)-4-methyl-N-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 58538835
2-(2-methoxyanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026319
2,6-dimethoxy-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 28578712
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 4263456
3-(2-methoxyphenyl)-1-phenyl-N-pyridin-4-ylpyrazole-4-carboxamide
CID 30157703
3-(2-methoxyphenyl)-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 8760149

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-3-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of 5-(2-methoxyphenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-3-ylmethyl)pyrrole-3-carboxamide (CID 59808179) is 5-(2-methoxyphenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-3-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-(2-methoxyphenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-3-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-(2-methoxyphenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-3-ylmethyl)pyrrole-3-carboxamide is COc1ccccc1-c1c(C)c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn1Cc1cccnc1.
What is the InChIKey of 5-(2-methoxyphenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-3-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is HSDKHZXZIFNPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-18-23(26(30)28-20-10-12-21(13-11-20)34(3,31)32)17-29(16-19-7-6-14-27-15-19)25(18)22-8-4-5-9-24(22)33-2/h4-15,17H,16H2,1-3H3,(H,28,30).
What are the key properties of 5-(2-methoxyphenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-3-ylmethyl)pyrrole-3-carboxamide?
5-(2-methoxyphenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-3-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-3-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 59808179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).