1-(2-fluorophenyl)-2,5-dimethyl-N-[4-[(S)-methylsulfinyl]phenyl]pyrrole-3-carboxamide

C20H19FN2O2S — CID 100624803

IUPAC1-(2-fluorophenyl)-2,5-dimethyl-N-[4-[(S)-methylsulfinyl]phenyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc([S@](C)=O)cc2)c(C)n1-c1ccccc1F
InChIInChI=1S/C20H19FN2O2S/c1-13-12-17(14(2)23(13)19-7-5-4-6-18(19)21)20(24)22-15-8-10-16(11-9-15)26(3)25/h4-12H,1-3H3,(H,22,24)/t26-/m0/s1
InChIKeyONFNEZZJJSHAJY-SANMLTNESA-N
MW370.45 g/mol
LogP4.22
Rot. Bonds4

About 1-(2-fluorophenyl)-2,5-dimethyl-N-[4-[(S)-methylsulfinyl]phenyl]pyrrole-3-carboxamide

1-(2-fluorophenyl)-2,5-dimethyl-N-[4-[(S)-methylsulfinyl]phenyl]pyrrole-3-carboxamide (PubChem CID 100624803) has the molecular formula C20H19FN2O2S and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2,5-dimethyl-N-[4-[(S)-methylsulfinyl]phenyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2,5-dimethyl-N-[4-[(S)-methylsulfinyl]phenyl]pyrrole-3-carboxamide
PubChem CID100624803
Molecular FormulaC20H19FN2O2S
Molecular Weight370.45 g/mol
Exact Mass370.12
IUPAC Name1-(2-fluorophenyl)-2,5-dimethyl-N-[4-[(S)-methylsulfinyl]phenyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc([S@](C)=O)cc2)c(C)n1-c1ccccc1F
InChIInChI=1S/C20H19FN2O2S/c1-13-12-17(14(2)23(13)19-7-5-4-6-18(19)21)20(24)22-15-8-10-16(11-9-15)26(3)25/h4-12H,1-3H3,(H,22,24)/t26-/m0/s1
InChIKeyONFNEZZJJSHAJY-SANMLTNESA-N
XLogP4.22
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-N-(3-hydroxy-2-pyridinyl)-2,5-dimethylpyrrole-3-carboxamide
CID 71936977
N-cyclohexyl-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 25394128
1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 7230977
2,5-dimethyl-N-(4-methylsulfonylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 58483001
2,5-dimethyl-N-(4-propylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59808020
2,5-dimethyl-N-[4-sulfamoyl-3-(trifluoromethyl)phenyl]-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59807899
N-[4-(acetylsulfamoyl)phenyl]-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59808088
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 46532208
2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 2423054
N'-[2-(2-fluorophenoxy)propanoyl]-1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbohydrazide
CID 55543848
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860
2,5-dimethyl-N-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59807690

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2,5-dimethyl-N-[4-[(S)-methylsulfinyl]phenyl]pyrrole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-2,5-dimethyl-N-[4-[(S)-methylsulfinyl]phenyl]pyrrole-3-carboxamide (CID 100624803) is 1-(2-fluorophenyl)-2,5-dimethyl-N-[4-[(S)-methylsulfinyl]phenyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-2,5-dimethyl-N-[4-[(S)-methylsulfinyl]phenyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-2,5-dimethyl-N-[4-[(S)-methylsulfinyl]phenyl]pyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc([S@](C)=O)cc2)c(C)n1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2,5-dimethyl-N-[4-[(S)-methylsulfinyl]phenyl]pyrrole-3-carboxamide?
The InChIKey is ONFNEZZJJSHAJY-SANMLTNESA-N. The full InChI is InChI=1S/C20H19FN2O2S/c1-13-12-17(14(2)23(13)19-7-5-4-6-18(19)21)20(24)22-15-8-10-16(11-9-15)26(3)25/h4-12H,1-3H3,(H,22,24)/t26-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-2,5-dimethyl-N-[4-[(S)-methylsulfinyl]phenyl]pyrrole-3-carboxamide?
1-(2-fluorophenyl)-2,5-dimethyl-N-[4-[(S)-methylsulfinyl]phenyl]pyrrole-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2,5-dimethyl-N-[4-[(S)-methylsulfinyl]phenyl]pyrrole-3-carboxamide is sourced from PubChem (CID 100624803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).