3-cyclopentyl-2-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide

C26H28N4O5S2 — CID 11519518

IUPAC3-cyclopentyl-2-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)NCc4ccco4)cc3)sc2n1
InChIInChI=1S/C26H28N4O5S2/c1-34-23-13-12-22-25(29-23)36-26(28-22)30-24(31)21(15-17-5-2-3-6-17)18-8-10-20(11-9-18)37(32,33)27-16-19-7-4-14-35-19/h4,7-14,17,21,27H,2-3,5-6,15-16H2,1H3,(H,28,30,31)
InChIKeyVYCOWOUFZJFBOD-UHFFFAOYSA-N
MW540.67 g/mol
LogP5.07
Rot. Bonds10

About 3-cyclopentyl-2-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide

3-cyclopentyl-2-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (PubChem CID 11519518) has the molecular formula C26H28N4O5S2 and a molecular weight of 540.67 g/mol. Its IUPAC name is 3-cyclopentyl-2-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
PubChem CID11519518
Molecular FormulaC26H28N4O5S2
Molecular Weight540.67 g/mol
Exact Mass540.15
IUPAC Name3-cyclopentyl-2-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)NCc4ccco4)cc3)sc2n1
InChIInChI=1S/C26H28N4O5S2/c1-34-23-13-12-22-25(29-23)36-26(28-22)30-24(31)21(15-17-5-2-3-6-17)18-8-10-20(11-9-18)37(32,33)27-16-19-7-4-14-35-19/h4,7-14,17,21,27H,2-3,5-6,15-16H2,1H3,(H,28,30,31)
InChIKeyVYCOWOUFZJFBOD-UHFFFAOYSA-N
XLogP5.07
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.67
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-cyclopentyl-2-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide 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 3-cyclopentyl-2-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The IUPAC name of 3-cyclopentyl-2-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (CID 11519518) is 3-cyclopentyl-2-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-2-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide is COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)NCc4ccco4)cc3)sc2n1.
What is the InChIKey of 3-cyclopentyl-2-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The InChIKey is VYCOWOUFZJFBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5S2/c1-34-23-13-12-22-25(29-23)36-26(28-22)30-24(31)21(15-17-5-2-3-6-17)18-8-10-20(11-9-18)37(32,33)27-16-19-7-4-14-35-19/h4,7-14,17,21,27H,2-3,5-6,15-16H2,1H3,(H,28,30,31).
What are the key properties of 3-cyclopentyl-2-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
3-cyclopentyl-2-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide has a molecular weight of 540.67 g/mol, XLogP of 5.07, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide is sourced from PubChem (CID 11519518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).