2-[[2-[[(2R)-3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]propanoyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetic acid

C26H32N4O6S2 — CID 87542342

IUPAC2-[[2-[[(2R)-3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]propanoyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetic acid
SMILESCCN(CC)S(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nc3ccc(OCC(=O)O)nc3s2)cc1
InChIInChI=1S/C26H32N4O6S2/c1-3-30(4-2)38(34,35)19-11-9-18(10-12-19)20(15-17-7-5-6-8-17)24(33)29-26-27-21-13-14-22(28-25(21)37-26)36-16-23(31)32/h9-14,17,20H,3-8,15-16H2,1-2H3,(H,31,32)(H,27,29,33)/t20-/m1/s1
InChIKeyNQGXFVNXNGAGMN-HXUWFJFHSA-N
MW560.70 g/mol
LogP4.49
Rot. Bonds12

About 2-[[2-[[(2R)-3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]propanoyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetic acid

2-[[2-[[(2R)-3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]propanoyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetic acid (PubChem CID 87542342) has the molecular formula C26H32N4O6S2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 2-[[2-[[(2R)-3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]propanoyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetic acid.

Molecular Properties

Compound Name2-[[2-[[(2R)-3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]propanoyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetic acid
PubChem CID87542342
Molecular FormulaC26H32N4O6S2
Molecular Weight560.70 g/mol
Exact Mass560.18
IUPAC Name2-[[2-[[(2R)-3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]propanoyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetic acid
SMILESCCN(CC)S(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nc3ccc(OCC(=O)O)nc3s2)cc1
InChIInChI=1S/C26H32N4O6S2/c1-3-30(4-2)38(34,35)19-11-9-18(10-12-19)20(15-17-7-5-6-8-17)24(33)29-26-27-21-13-14-22(28-25(21)37-26)36-16-23(31)32/h9-14,17,20H,3-8,15-16H2,1-2H3,(H,31,32)(H,27,29,33)/t20-/m1/s1
InChIKeyNQGXFVNXNGAGMN-HXUWFJFHSA-N
XLogP4.49
TPSA138.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.70
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[2-[[(2R)-3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]propanoyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetic acid 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 2-[[2-[[(2R)-3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]propanoyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetic acid?
The IUPAC name of 2-[[2-[[(2R)-3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]propanoyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetic acid (CID 87542342) is 2-[[2-[[(2R)-3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]propanoyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetic acid.
What is the SMILES notation for 2-[[2-[[(2R)-3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]propanoyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetic acid?
The canonical SMILES for 2-[[2-[[(2R)-3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]propanoyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetic acid is CCN(CC)S(=O)(=O)c1ccc([C@@H](CC2CCCC2)C(=O)Nc2nc3ccc(OCC(=O)O)nc3s2)cc1.
What is the InChIKey of 2-[[2-[[(2R)-3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]propanoyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetic acid?
The InChIKey is NQGXFVNXNGAGMN-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H32N4O6S2/c1-3-30(4-2)38(34,35)19-11-9-18(10-12-19)20(15-17-7-5-6-8-17)24(33)29-26-27-21-13-14-22(28-25(21)37-26)36-16-23(31)32/h9-14,17,20H,3-8,15-16H2,1-2H3,(H,31,32)(H,27,29,33)/t20-/m1/s1.
What are the key properties of 2-[[2-[[(2R)-3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]propanoyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetic acid?
2-[[2-[[(2R)-3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]propanoyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetic acid has a molecular weight of 560.70 g/mol, XLogP of 4.49, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(2R)-3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]propanoyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetic acid is sourced from PubChem (CID 87542342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).