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

C24H30N4O5S2 — CID 11548098

IUPAC3-cyclopentyl-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)N(C)CCO)cc3)sc2n1
InChIInChI=1S/C24H30N4O5S2/c1-28(13-14-29)35(31,32)18-9-7-17(8-10-18)19(15-16-5-3-4-6-16)22(30)27-24-25-20-11-12-21(33-2)26-23(20)34-24/h7-12,16,19,29H,3-6,13-15H2,1-2H3,(H,25,27,30)
InChIKeyZUWZPKWHGCQWQZ-UHFFFAOYSA-N
MW518.66 g/mol
LogP3.62
Rot. Bonds10

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

3-cyclopentyl-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (PubChem CID 11548098) has the molecular formula C24H30N4O5S2 and a molecular weight of 518.66 g/mol. Its IUPAC name is 3-cyclopentyl-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
PubChem CID11548098
Molecular FormulaC24H30N4O5S2
Molecular Weight518.66 g/mol
Exact Mass518.17
IUPAC Name3-cyclopentyl-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)N(C)CCO)cc3)sc2n1
InChIInChI=1S/C24H30N4O5S2/c1-28(13-14-29)35(31,32)18-9-7-17(8-10-18)19(15-16-5-3-4-6-16)22(30)27-24-25-20-11-12-21(33-2)26-23(20)34-24/h7-12,16,19,29H,3-6,13-15H2,1-2H3,(H,25,27,30)
InChIKeyZUWZPKWHGCQWQZ-UHFFFAOYSA-N
XLogP3.62
TPSA121.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.66
LogP ≤ 53.62
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-hydroxyethyl(methyl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The IUPAC name of 3-cyclopentyl-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (CID 11548098) is 3-cyclopentyl-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]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-hydroxyethyl(methyl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide is COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)N(C)CCO)cc3)sc2n1.
What is the InChIKey of 3-cyclopentyl-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The InChIKey is ZUWZPKWHGCQWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S2/c1-28(13-14-29)35(31,32)18-9-7-17(8-10-18)19(15-16-5-3-4-6-16)22(30)27-24-25-20-11-12-21(33-2)26-23(20)34-24/h7-12,16,19,29H,3-6,13-15H2,1-2H3,(H,25,27,30).
What are the key properties of 3-cyclopentyl-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
3-cyclopentyl-2-[4-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide has a molecular weight of 518.66 g/mol, XLogP of 3.62, 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-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide is sourced from PubChem (CID 11548098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).