2,5-dimethyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide

C21H22N2O3S — CID 2318095

IUPAC2,5-dimethyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
SMILESCc1ccc(-n2c(C)cc(C(=O)NS(=O)(=O)c3ccc(C)cc3)c2C)cc1
InChIInChI=1S/C21H22N2O3S/c1-14-5-9-18(10-6-14)23-16(3)13-20(17(23)4)21(24)22-27(25,26)19-11-7-15(2)8-12-19/h5-13H,1-4H3,(H,22,24)
InChIKeyIXDHWCZBBOOEKO-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.83
Rot. Bonds4

About 2,5-dimethyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide

2,5-dimethyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide (PubChem CID 2318095) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2,5-dimethyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
PubChem CID2318095
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name2,5-dimethyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
SMILESCc1ccc(-n2c(C)cc(C(=O)NS(=O)(=O)c3ccc(C)cc3)c2C)cc1
InChIInChI=1S/C21H22N2O3S/c1-14-5-9-18(10-6-14)23-16(3)13-20(17(23)4)21(24)22-27(25,26)19-11-7-15(2)8-12-19/h5-13H,1-4H3,(H,22,24)
InChIKeyIXDHWCZBBOOEKO-UHFFFAOYSA-N
XLogP3.83
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1,2,5-Trimethyl-N-phenyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 20945374
2,5-dimethyl-1-[2-(trifluoromethyl)phenyl)-1H-pyrrole-3-carboxylic acid (4-sulfamoyl-phenyl)-amide
CID 59807726
2,5-dimethyl-N-(4-methylphenyl)-1-phenylpyrrole-3-carboxamide
CID 2368804
2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)-3-pyrrolecarboxamide
CID 2423054
5-tert-butyl-2-methyl-N-(4-methylphenyl)-1-phenylpyrrole-3-carboxamide
CID 2742296
N-{[4-(Dimethylamino)phenyl]methyl}-1,2,5-trimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 16026507
4-(Azepane-1-carbonyl)-N-(2-ethylphenyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
CID 20945641
4-(Azepane-1-carbonyl)-N-(2,4-dimethylphenyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
CID 20945665
N3-[3-(Dimethylamino)propyl]-1-[4-(aminosulfonyl)phenyl]-2-methyl-5-(2-naphthyl)-1H-3-pyrrolecarboxamide
CID 52940811
N-(Piperidino-1-ethyl)-1-[4-(aminosulfonyl)phenyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 52941031
4-[2-Methyl-3-(4-methylpiperazine-1-carbonyl)-5-phenylpyrrol-1-yl]benzenesulfonamide
CID 52943455
N-[2-(Dimethylamino)ethyl]-1-[4-(aminosulfonyl)phenyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 52944603

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide (CID 2318095) is 2,5-dimethyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide is Cc1ccc(-n2c(C)cc(C(=O)NS(=O)(=O)c3ccc(C)cc3)c2C)cc1.
What is the InChIKey of 2,5-dimethyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide?
The InChIKey is IXDHWCZBBOOEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-14-5-9-18(10-6-14)23-16(3)13-20(17(23)4)21(24)22-27(25,26)19-11-7-15(2)8-12-19/h5-13H,1-4H3,(H,22,24).
What are the key properties of 2,5-dimethyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide?
2,5-dimethyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide is sourced from PubChem (CID 2318095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).