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

C25H33N5O4S2 — CID 11591855

IUPAC3-cyclopentyl-2-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)NCCN(C)C)cc3)sc2n1
InChIInChI=1S/C25H33N5O4S2/c1-30(2)15-14-26-36(32,33)19-10-8-18(9-11-19)20(16-17-6-4-5-7-17)23(31)29-25-27-21-12-13-22(34-3)28-24(21)35-25/h8-13,17,20,26H,4-7,14-16H2,1-3H3,(H,27,29,31)
InChIKeySNNHMOIYFKPOKT-UHFFFAOYSA-N
MW531.70 g/mol
LogP3.84
Rot. Bonds11

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

3-cyclopentyl-2-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (PubChem CID 11591855) has the molecular formula C25H33N5O4S2 and a molecular weight of 531.70 g/mol. Its IUPAC name is 3-cyclopentyl-2-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
PubChem CID11591855
Molecular FormulaC25H33N5O4S2
Molecular Weight531.70 g/mol
Exact Mass531.20
IUPAC Name3-cyclopentyl-2-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)NCCN(C)C)cc3)sc2n1
InChIInChI=1S/C25H33N5O4S2/c1-30(2)15-14-26-36(32,33)19-10-8-18(9-11-19)20(16-17-6-4-5-7-17)23(31)29-25-27-21-12-13-22(34-3)28-24(21)35-25/h8-13,17,20,26H,4-7,14-16H2,1-3H3,(H,27,29,31)
InChIKeySNNHMOIYFKPOKT-UHFFFAOYSA-N
XLogP3.84
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.70
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The IUPAC name of 3-cyclopentyl-2-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (CID 11591855) is 3-cyclopentyl-2-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-2-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide is COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)NCCN(C)C)cc3)sc2n1.
What is the InChIKey of 3-cyclopentyl-2-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The InChIKey is SNNHMOIYFKPOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O4S2/c1-30(2)15-14-26-36(32,33)19-10-8-18(9-11-19)20(16-17-6-4-5-7-17)23(31)29-25-27-21-12-13-22(34-3)28-24(21)35-25/h8-13,17,20,26H,4-7,14-16H2,1-3H3,(H,27,29,31).
What are the key properties of 3-cyclopentyl-2-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
3-cyclopentyl-2-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide has a molecular weight of 531.70 g/mol, XLogP of 3.84, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide is sourced from PubChem (CID 11591855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).