1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-(2-propan-2-yloxyphenyl)pyrrole-3-carboxamide

C23H26N2O4S — CID 59807932

IUPAC1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-(2-propan-2-yloxyphenyl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(C)c1-c1ccccc1OC(C)C
InChIInChI=1S/C23H26N2O4S/c1-15(2)29-21-9-7-6-8-19(21)22-16(3)20(14-25(22)4)23(26)24-17-10-12-18(13-11-17)30(5,27)28/h6-15H,1-5H3,(H,24,26)
InChIKeyFHLRBYQPIGLQRE-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.44
Rot. Bonds6

About 1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-(2-propan-2-yloxyphenyl)pyrrole-3-carboxamide

1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-(2-propan-2-yloxyphenyl)pyrrole-3-carboxamide (PubChem CID 59807932) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is 1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-(2-propan-2-yloxyphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-(2-propan-2-yloxyphenyl)pyrrole-3-carboxamide
PubChem CID59807932
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-(2-propan-2-yloxyphenyl)pyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(C)c1-c1ccccc1OC(C)C
InChIInChI=1S/C23H26N2O4S/c1-15(2)29-21-9-7-6-8-19(21)22-16(3)20(14-25(22)4)23(26)24-17-10-12-18(13-11-17)30(5,27)28/h6-15H,1-5H3,(H,24,26)
InChIKeyFHLRBYQPIGLQRE-UHFFFAOYSA-N
XLogP4.44
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,6-dimethylphenyl)-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 59808198
5-[2-(benzylcarbamoyl)phenyl]-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 142762448
5-bromo-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 59807934
5-[3,5-bis(trifluoromethyl)phenyl]-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 87236285
5-(2-methoxyphenyl)-4-methyl-N-(4-methylsulfonylphenyl)-1-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 59808179
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
N-(4-methylsulfonylphenyl)-2-phenylbenzamide
CID 47005035
1-(2-hydroxy-3-phenoxypropyl)-4-methyl-5-(2-methylphenyl)-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 59807960
1-(4-hydroxybutyl)-4-methyl-N-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 58538835
4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 107671551
4-methyl-N-(4-methylsulfonylphenyl)-1-(2-phenylmethoxyethyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 174214288
N-(4-acetamidophenyl)-2-propan-2-yloxybenzamide
CID 17045479

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-(2-propan-2-yloxyphenyl)pyrrole-3-carboxamide?
The IUPAC name of 1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-(2-propan-2-yloxyphenyl)pyrrole-3-carboxamide (CID 59807932) is 1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-(2-propan-2-yloxyphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-(2-propan-2-yloxyphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-(2-propan-2-yloxyphenyl)pyrrole-3-carboxamide is Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(C)c1-c1ccccc1OC(C)C.
What is the InChIKey of 1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-(2-propan-2-yloxyphenyl)pyrrole-3-carboxamide?
The InChIKey is FHLRBYQPIGLQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-15(2)29-21-9-7-6-8-19(21)22-16(3)20(14-25(22)4)23(26)24-17-10-12-18(13-11-17)30(5,27)28/h6-15H,1-5H3,(H,24,26).
What are the key properties of 1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-(2-propan-2-yloxyphenyl)pyrrole-3-carboxamide?
1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-(2-propan-2-yloxyphenyl)pyrrole-3-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-(4-methylsulfonylphenyl)-5-(2-propan-2-yloxyphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 59807932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).