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

C25H32N4O4S2 — CID 11613255

IUPAC3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nc3ccc(OC)nc3s2)cc1
InChIInChI=1S/C25H32N4O4S2/c1-4-29(5-2)35(31,32)19-12-10-18(11-13-19)20(16-17-8-6-7-9-17)23(30)28-25-26-21-14-15-22(33-3)27-24(21)34-25/h10-15,17,20H,4-9,16H2,1-3H3,(H,26,28,30)
InChIKeySLAIZTDQGUFKDC-UHFFFAOYSA-N
MW516.69 g/mol
LogP5.03
Rot. Bonds10

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

3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (PubChem CID 11613255) has the molecular formula C25H32N4O4S2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
PubChem CID11613255
Molecular FormulaC25H32N4O4S2
Molecular Weight516.69 g/mol
Exact Mass516.19
IUPAC Name3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nc3ccc(OC)nc3s2)cc1
InChIInChI=1S/C25H32N4O4S2/c1-4-29(5-2)35(31,32)19-12-10-18(11-13-19)20(16-17-8-6-7-9-17)23(30)28-25-26-21-14-15-22(33-3)27-24(21)34-25/h10-15,17,20H,4-9,16H2,1-3H3,(H,26,28,30)
InChIKeySLAIZTDQGUFKDC-UHFFFAOYSA-N
XLogP5.03
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The IUPAC name of 3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (CID 11613255) is 3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide is CCN(CC)S(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nc3ccc(OC)nc3s2)cc1.
What is the InChIKey of 3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The InChIKey is SLAIZTDQGUFKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S2/c1-4-29(5-2)35(31,32)19-12-10-18(11-13-19)20(16-17-8-6-7-9-17)23(30)28-25-26-21-14-15-22(33-3)27-24(21)34-25/h10-15,17,20H,4-9,16H2,1-3H3,(H,26,28,30).
What are the key properties of 3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide has a molecular weight of 516.69 g/mol, XLogP of 5.03, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[4-(diethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide is sourced from PubChem (CID 11613255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).