ethyl 2,5-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]sulfamoyl]-1H-pyrrole-3-carboxylate

C17H23N3O6S — CID 20938456

IUPACethyl 2,5-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]sulfamoyl]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)NCc1ccc(C)o1
InChIInChI=1S/C17H23N3O6S/c1-5-25-17(22)15-11(3)20-12(4)16(15)27(23,24)19-9-14(21)18-8-13-7-6-10(2)26-13/h6-7,19-20H,5,8-9H2,1-4H3,(H,18,21)
InChIKeyZNKORCKFQOBKLC-UHFFFAOYSA-N
MW397.45 g/mol
LogP1.30
Rot. Bonds8

About ethyl 2,5-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]sulfamoyl]-1H-pyrrole-3-carboxylate

ethyl 2,5-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]sulfamoyl]-1H-pyrrole-3-carboxylate (PubChem CID 20938456) has the molecular formula C17H23N3O6S and a molecular weight of 397.45 g/mol. Its IUPAC name is ethyl 2,5-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]sulfamoyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]sulfamoyl]-1H-pyrrole-3-carboxylate
PubChem CID20938456
Molecular FormulaC17H23N3O6S
Molecular Weight397.45 g/mol
Exact Mass397.13
IUPAC Nameethyl 2,5-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]sulfamoyl]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)NCc1ccc(C)o1
InChIInChI=1S/C17H23N3O6S/c1-5-25-17(22)15-11(3)20-12(4)16(15)27(23,24)19-9-14(21)18-8-13-7-6-10(2)26-13/h6-7,19-20H,5,8-9H2,1-4H3,(H,18,21)
InChIKeyZNKORCKFQOBKLC-UHFFFAOYSA-N
XLogP1.30
TPSA130.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 2,5-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]sulfamoyl]-1H-pyrrole-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]sulfamoyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2,5-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]sulfamoyl]-1H-pyrrole-3-carboxylate (CID 20938456) is ethyl 2,5-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]sulfamoyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2,5-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]sulfamoyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2,5-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]sulfamoyl]-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)NCc1ccc(C)o1.
What is the InChIKey of ethyl 2,5-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]sulfamoyl]-1H-pyrrole-3-carboxylate?
The InChIKey is ZNKORCKFQOBKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O6S/c1-5-25-17(22)15-11(3)20-12(4)16(15)27(23,24)19-9-14(21)18-8-13-7-6-10(2)26-13/h6-7,19-20H,5,8-9H2,1-4H3,(H,18,21).
What are the key properties of ethyl 2,5-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]sulfamoyl]-1H-pyrrole-3-carboxylate?
ethyl 2,5-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]sulfamoyl]-1H-pyrrole-3-carboxylate has a molecular weight of 397.45 g/mol, XLogP of 1.30, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dimethyl-4-[[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]sulfamoyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 20938456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).