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

C27H36N4O4S2 — CID 11555724

IUPAC3-cyclopentyl-2-[4-(dipropylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nc3ccc(OC)nc3s2)cc1
InChIInChI=1S/C27H36N4O4S2/c1-4-16-31(17-5-2)37(33,34)21-12-10-20(11-13-21)22(18-19-8-6-7-9-19)25(32)30-27-28-23-14-15-24(35-3)29-26(23)36-27/h10-15,19,22H,4-9,16-18H2,1-3H3,(H,28,30,32)
InChIKeyXRSJNMNIDPHJEL-UHFFFAOYSA-N
MW544.74 g/mol
LogP5.81
Rot. Bonds12

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

3-cyclopentyl-2-[4-(dipropylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (PubChem CID 11555724) has the molecular formula C27H36N4O4S2 and a molecular weight of 544.74 g/mol. Its IUPAC name is 3-cyclopentyl-2-[4-(dipropylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-[4-(dipropylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
PubChem CID11555724
Molecular FormulaC27H36N4O4S2
Molecular Weight544.74 g/mol
Exact Mass544.22
IUPAC Name3-cyclopentyl-2-[4-(dipropylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nc3ccc(OC)nc3s2)cc1
InChIInChI=1S/C27H36N4O4S2/c1-4-16-31(17-5-2)37(33,34)21-12-10-20(11-13-21)22(18-19-8-6-7-9-19)25(32)30-27-28-23-14-15-24(35-3)29-26(23)36-27/h10-15,19,22H,4-9,16-18H2,1-3H3,(H,28,30,32)
InChIKeyXRSJNMNIDPHJEL-UHFFFAOYSA-N
XLogP5.81
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.74
LogP ≤ 55.81
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-(dipropylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The IUPAC name of 3-cyclopentyl-2-[4-(dipropylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (CID 11555724) is 3-cyclopentyl-2-[4-(dipropylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-2-[4-(dipropylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-[4-(dipropylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide is CCCN(CCC)S(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nc3ccc(OC)nc3s2)cc1.
What is the InChIKey of 3-cyclopentyl-2-[4-(dipropylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The InChIKey is XRSJNMNIDPHJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4S2/c1-4-16-31(17-5-2)37(33,34)21-12-10-20(11-13-21)22(18-19-8-6-7-9-19)25(32)30-27-28-23-14-15-24(35-3)29-26(23)36-27/h10-15,19,22H,4-9,16-18H2,1-3H3,(H,28,30,32).
What are the key properties of 3-cyclopentyl-2-[4-(dipropylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
3-cyclopentyl-2-[4-(dipropylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide has a molecular weight of 544.74 g/mol, XLogP of 5.81, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[4-(dipropylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide is sourced from PubChem (CID 11555724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).