4-(furan-2-ylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide

C20H22N4O5S — CID 60559839

IUPAC4-(furan-2-ylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
SMILESCc1nc(C2(NC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)CCCC2)no1
InChIInChI=1S/C20H22N4O5S/c1-14-22-19(24-29-14)20(10-2-3-11-20)23-18(25)15-6-8-17(9-7-15)30(26,27)21-13-16-5-4-12-28-16/h4-9,12,21H,2-3,10-11,13H2,1H3,(H,23,25)
InChIKeyPFZDDNWFTZFYBC-UHFFFAOYSA-N
MW430.49 g/mol
LogP2.65
Rot. Bonds7

About 4-(furan-2-ylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide

4-(furan-2-ylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide (PubChem CID 60559839) has the molecular formula C20H22N4O5S and a molecular weight of 430.49 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
PubChem CID60559839
Molecular FormulaC20H22N4O5S
Molecular Weight430.49 g/mol
Exact Mass430.13
IUPAC Name4-(furan-2-ylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
SMILESCc1nc(C2(NC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)CCCC2)no1
InChIInChI=1S/C20H22N4O5S/c1-14-22-19(24-29-14)20(10-2-3-11-20)23-18(25)15-6-8-17(9-7-15)30(26,27)21-13-16-5-4-12-28-16/h4-9,12,21H,2-3,10-11,13H2,1H3,(H,23,25)
InChIKeyPFZDDNWFTZFYBC-UHFFFAOYSA-N
XLogP2.65
TPSA127.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide?
The IUPAC name of 4-(furan-2-ylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide (CID 60559839) is 4-(furan-2-ylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide.
What is the SMILES notation for 4-(furan-2-ylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide?
The canonical SMILES for 4-(furan-2-ylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide is Cc1nc(C2(NC(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)CCCC2)no1.
What is the InChIKey of 4-(furan-2-ylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide?
The InChIKey is PFZDDNWFTZFYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S/c1-14-22-19(24-29-14)20(10-2-3-11-20)23-18(25)15-6-8-17(9-7-15)30(26,27)21-13-16-5-4-12-28-16/h4-9,12,21H,2-3,10-11,13H2,1H3,(H,23,25).
What are the key properties of 4-(furan-2-ylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide?
4-(furan-2-ylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide has a molecular weight of 430.49 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide is sourced from PubChem (CID 60559839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).