5-[(2S)-2-hydroxypropyl]-2-methyl-N-(4-methylsulfonylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

C23H23F3N2O4S — CID 58483009

IUPAC5-[(2S)-2-hydroxypropyl]-2-methyl-N-(4-methylsulfonylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc(C[C@H](C)O)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C23H23F3N2O4S/c1-14(29)12-17-13-19(22(30)27-16-8-10-18(11-9-16)33(3,31)32)15(2)28(17)21-7-5-4-6-20(21)23(24,25)26/h4-11,13-14,29H,12H2,1-3H3,(H,27,30)/t14-/m0/s1
InChIKeyPZCPFYKVLIKIOE-AWEZNQCLSA-N
MW480.51 g/mol
LogP4.38
Rot. Bonds6

About 5-[(2S)-2-hydroxypropyl]-2-methyl-N-(4-methylsulfonylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

5-[(2S)-2-hydroxypropyl]-2-methyl-N-(4-methylsulfonylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (PubChem CID 58483009) has the molecular formula C23H23F3N2O4S and a molecular weight of 480.51 g/mol. Its IUPAC name is 5-[(2S)-2-hydroxypropyl]-2-methyl-N-(4-methylsulfonylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[(2S)-2-hydroxypropyl]-2-methyl-N-(4-methylsulfonylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
PubChem CID58483009
Molecular FormulaC23H23F3N2O4S
Molecular Weight480.51 g/mol
Exact Mass480.13
IUPAC Name5-[(2S)-2-hydroxypropyl]-2-methyl-N-(4-methylsulfonylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc(C[C@H](C)O)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C23H23F3N2O4S/c1-14(29)12-17-13-19(22(30)27-16-8-10-18(11-9-16)33(3,31)32)15(2)28(17)21-7-5-4-6-20(21)23(24,25)26/h4-11,13-14,29H,12H2,1-3H3,(H,27,30)/t14-/m0/s1
InChIKeyPZCPFYKVLIKIOE-AWEZNQCLSA-N
XLogP4.38
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.51
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(2S)-2-hydroxypropyl]-2-methyl-N-(4-methylsulfonylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Esaxerenone
CID 25052023
1-[4-Chloro-2-(trifluoromethyl)phenyl]-5-(2-hydroxyethyl)-2-methyl-N-[4-(methylsulfonyl)phenyl]-1H-pyrrole-3-carboxamide
CID 45278780
1-[4-chloro-2-(trifluoromethyl)phenyl]-5-[(2S)-2-hydroxypropyl]-2-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 45278857
5-[4-Fluoro-2-(trifluoromethyl)phenyl]-1-[(1R,2S)-2-hydroxy-1-methylpropyl]-4-methyl-N-[4-(methylsulfonyl)phenyl]-1H-pyrrole-3-carboxamide
CID 45380783
1-[4-chloro-2-(4-fluorophenyl)phenyl]-5-[(2S)-2-hydroxypropyl]-2-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 58483018
1-[4-fluoro-2-(trifluoromethyl)phenyl]-5-[(2S,3S)-3-hydroxybutan-2-yl]-2-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 137643684
1,5-bis-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl) amide
CID 11576344
2,5-dimethyl-N-(4-methylsulfanylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 11718365
1-[4-fluoro-2-(trifluoromethyl)phenyl]-5-[(2S)-2-hydroxypropyl]-2-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 45138957
1-(4-fluoro-2-methylphenyl)-5-[(2S)-2-hydroxypropyl]-2-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 45278858
1-[2-(difluoromethoxy)-4-fluorophenyl]-5-[(2S)-2-hydroxypropyl]-2-methyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 45278859
1-[4-fluoro-2-(trifluoromethyl)phenyl]-5-[(2S)-2-hydroxypropyl]-2-methyl-N-(3-methyl-4-sulfamoylphenyl)pyrrole-3-carboxamide
CID 45278860

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-hydroxypropyl]-2-methyl-N-(4-methylsulfonylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The IUPAC name of 5-[(2S)-2-hydroxypropyl]-2-methyl-N-(4-methylsulfonylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (CID 58483009) is 5-[(2S)-2-hydroxypropyl]-2-methyl-N-(4-methylsulfonylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.
What is the SMILES notation for 5-[(2S)-2-hydroxypropyl]-2-methyl-N-(4-methylsulfonylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The canonical SMILES for 5-[(2S)-2-hydroxypropyl]-2-methyl-N-(4-methylsulfonylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc(C[C@H](C)O)n1-c1ccccc1C(F)(F)F.
What is the InChIKey of 5-[(2S)-2-hydroxypropyl]-2-methyl-N-(4-methylsulfonylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The InChIKey is PZCPFYKVLIKIOE-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H23F3N2O4S/c1-14(29)12-17-13-19(22(30)27-16-8-10-18(11-9-16)33(3,31)32)15(2)28(17)21-7-5-4-6-20(21)23(24,25)26/h4-11,13-14,29H,12H2,1-3H3,(H,27,30)/t14-/m0/s1.
What are the key properties of 5-[(2S)-2-hydroxypropyl]-2-methyl-N-(4-methylsulfonylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
5-[(2S)-2-hydroxypropyl]-2-methyl-N-(4-methylsulfonylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide has a molecular weight of 480.51 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-hydroxypropyl]-2-methyl-N-(4-methylsulfonylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is sourced from PubChem (CID 58483009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).