N-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-2-methoxyacetamide

C20H19FN2O4S — CID 175482059

IUPACN-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(S(=O)(=O)n2cc(C)cc2-c2ccccc2F)c1
InChIInChI=1S/C20H19FN2O4S/c1-14-10-19(17-8-3-4-9-18(17)21)23(12-14)28(25,26)16-7-5-6-15(11-16)22-20(24)13-27-2/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyMREZADRHUIFSEG-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.42
Rot. Bonds6

About N-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-2-methoxyacetamide

N-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-2-methoxyacetamide (PubChem CID 175482059) has the molecular formula C20H19FN2O4S and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-2-methoxyacetamide
PubChem CID175482059
Molecular FormulaC20H19FN2O4S
Molecular Weight402.45 g/mol
Exact Mass402.10
IUPAC NameN-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(S(=O)(=O)n2cc(C)cc2-c2ccccc2F)c1
InChIInChI=1S/C20H19FN2O4S/c1-14-10-19(17-8-3-4-9-18(17)21)23(12-14)28(25,26)16-7-5-6-15(11-16)22-20(24)13-27-2/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyMREZADRHUIFSEG-UHFFFAOYSA-N
XLogP3.42
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-2-methoxyacetamide (CID 175482059) is N-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-2-methoxyacetamide is COCC(=O)Nc1cccc(S(=O)(=O)n2cc(C)cc2-c2ccccc2F)c1.
What is the InChIKey of N-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-2-methoxyacetamide?
The InChIKey is MREZADRHUIFSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4S/c1-14-10-19(17-8-3-4-9-18(17)21)23(12-14)28(25,26)16-7-5-6-15(11-16)22-20(24)13-27-2/h3-12H,13H2,1-2H3,(H,22,24).
What are the key properties of N-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-2-methoxyacetamide?
N-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-2-methoxyacetamide has a molecular weight of 402.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-fluorophenyl)-4-methylpyrrol-1-yl]sulfonylphenyl]-2-methoxyacetamide is sourced from PubChem (CID 175482059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).