ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate

C18H24N2O5S — CID 20927276

IUPACethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCc2ccc(OC)cc2)c(C)n(C)c1C
InChIInChI=1S/C18H24N2O5S/c1-6-25-18(21)16-12(2)20(4)13(3)17(16)26(22,23)19-11-14-7-9-15(24-5)10-8-14/h7-10,19H,6,11H2,1-5H3
InChIKeyNUTLEJYKLLEHRV-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.31
Rot. Bonds7

About ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate

ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate (PubChem CID 20927276) has the molecular formula C18H24N2O5S and a molecular weight of 380.47 g/mol. Its IUPAC name is ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
PubChem CID20927276
Molecular FormulaC18H24N2O5S
Molecular Weight380.47 g/mol
Exact Mass380.14
IUPAC Nameethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCc2ccc(OC)cc2)c(C)n(C)c1C
InChIInChI=1S/C18H24N2O5S/c1-6-25-18(21)16-12(2)20(4)13(3)17(16)26(22,23)19-11-14-7-9-15(24-5)10-8-14/h7-10,19H,6,11H2,1-5H3
InChIKeyNUTLEJYKLLEHRV-UHFFFAOYSA-N
XLogP2.31
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The IUPAC name of ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate (CID 20927276) is ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate is CCOC(=O)c1c(S(=O)(=O)NCc2ccc(OC)cc2)c(C)n(C)c1C.
What is the InChIKey of ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The InChIKey is NUTLEJYKLLEHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5S/c1-6-25-18(21)16-12(2)20(4)13(3)17(16)26(22,23)19-11-14-7-9-15(24-5)10-8-14/h7-10,19H,6,11H2,1-5H3.
What are the key properties of ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate has a molecular weight of 380.47 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-methoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate is sourced from PubChem (CID 20927276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).