methyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate

C16H19N3O6S — CID 20938626

IUPACmethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cn1C
InChIInChI=1S/C16H19N3O6S/c1-17-11-12(10-13(17)16(21)24-2)26(22,23)19-7-5-18(6-8-19)15(20)14-4-3-9-25-14/h3-4,9-11H,5-8H2,1-2H3
InChIKeyQGPAXZRWZSWRRD-UHFFFAOYSA-N
MW381.41 g/mol
LogP0.55
Rot. Bonds4

About methyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate

methyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate (PubChem CID 20938626) has the molecular formula C16H19N3O6S and a molecular weight of 381.41 g/mol. Its IUPAC name is methyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
PubChem CID20938626
Molecular FormulaC16H19N3O6S
Molecular Weight381.41 g/mol
Exact Mass381.10
IUPAC Namemethyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cn1C
InChIInChI=1S/C16H19N3O6S/c1-17-11-12(10-13(17)16(21)24-2)26(22,23)19-7-5-18(6-8-19)15(20)14-4-3-9-25-14/h3-4,9-11H,5-8H2,1-2H3
InChIKeyQGPAXZRWZSWRRD-UHFFFAOYSA-N
XLogP0.55
TPSA102.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate (CID 20938626) is methyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cn1C.
What is the InChIKey of methyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate?
The InChIKey is QGPAXZRWZSWRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6S/c1-17-11-12(10-13(17)16(21)24-2)26(22,23)19-7-5-18(6-8-19)15(20)14-4-3-9-25-14/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of methyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate?
methyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate has a molecular weight of 381.41 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(furan-2-carbonyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 20938626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).