methyl 5-[2-[4-(furan-2-ylmethylsulfamoyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C23H24N2O8S — CID 16526889

IUPACmethyl 5-[2-[4-(furan-2-ylmethylsulfamoyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)C(C)OC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1C
InChIInChI=1S/C23H24N2O8S/c1-13-19(23(28)31-4)14(2)25-20(13)21(26)15(3)33-22(27)16-7-9-18(10-8-16)34(29,30)24-12-17-6-5-11-32-17/h5-11,15,24-25H,12H2,1-4H3
InChIKeyQQKGUGPXGBXTPZ-UHFFFAOYSA-N
MW488.52 g/mol
LogP2.92
Rot. Bonds9

About methyl 5-[2-[4-(furan-2-ylmethylsulfamoyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

methyl 5-[2-[4-(furan-2-ylmethylsulfamoyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 16526889) has the molecular formula C23H24N2O8S and a molecular weight of 488.52 g/mol. Its IUPAC name is methyl 5-[2-[4-(furan-2-ylmethylsulfamoyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[2-[4-(furan-2-ylmethylsulfamoyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID16526889
Molecular FormulaC23H24N2O8S
Molecular Weight488.52 g/mol
Exact Mass488.13
IUPAC Namemethyl 5-[2-[4-(furan-2-ylmethylsulfamoyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C(=O)C(C)OC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1C
InChIInChI=1S/C23H24N2O8S/c1-13-19(23(28)31-4)14(2)25-20(13)21(26)15(3)33-22(27)16-7-9-18(10-8-16)34(29,30)24-12-17-6-5-11-32-17/h5-11,15,24-25H,12H2,1-4H3
InChIKeyQQKGUGPXGBXTPZ-UHFFFAOYSA-N
XLogP2.92
TPSA144.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.52
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 5-[2-[4-(furan-2-ylmethylsulfamoyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate with MolForge

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Related Compounds

3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 45353023
4-O-[1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 16506521
[(1R)-1-phenylethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 8663360
methyl 5-[2-(4-ethylbenzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 16525171
(1-anilino-1-oxopropan-2-yl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4791564
methyl 5-[(2S)-2-(4-methoxybenzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7862020
[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765852
methyl 5-[(2S)-2-(4-tert-butylbenzoyl)oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7891890
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 8663364
methyl 5-[(2S)-2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7275051
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2098581
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550072

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-[4-(furan-2-ylmethylsulfamoyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 5-[2-[4-(furan-2-ylmethylsulfamoyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 16526889) is methyl 5-[2-[4-(furan-2-ylmethylsulfamoyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 5-[2-[4-(furan-2-ylmethylsulfamoyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 5-[2-[4-(furan-2-ylmethylsulfamoyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C(=O)C(C)OC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1C.
What is the InChIKey of methyl 5-[2-[4-(furan-2-ylmethylsulfamoyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is QQKGUGPXGBXTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O8S/c1-13-19(23(28)31-4)14(2)25-20(13)21(26)15(3)33-22(27)16-7-9-18(10-8-16)34(29,30)24-12-17-6-5-11-32-17/h5-11,15,24-25H,12H2,1-4H3.
What are the key properties of methyl 5-[2-[4-(furan-2-ylmethylsulfamoyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?
methyl 5-[2-[4-(furan-2-ylmethylsulfamoyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 488.52 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-[4-(furan-2-ylmethylsulfamoyl)benzoyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 16526889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).