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

C23H28N4O4S2 — CID 11540403

IUPAC3-cyclopentyl-2-[4-(dimethylsulfamoyl)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)C)cc3)sc2n1
InChIInChI=1S/C23H28N4O4S2/c1-27(2)33(29,30)17-10-8-16(9-11-17)18(14-15-6-4-5-7-15)21(28)26-23-24-19-12-13-20(31-3)25-22(19)32-23/h8-13,15,18H,4-7,14H2,1-3H3,(H,24,26,28)
InChIKeyPQQWGZZSLXLGEQ-UHFFFAOYSA-N
MW488.64 g/mol
LogP4.25
Rot. Bonds8

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

3-cyclopentyl-2-[4-(dimethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (PubChem CID 11540403) has the molecular formula C23H28N4O4S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 3-cyclopentyl-2-[4-(dimethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-[4-(dimethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
PubChem CID11540403
Molecular FormulaC23H28N4O4S2
Molecular Weight488.64 g/mol
Exact Mass488.16
IUPAC Name3-cyclopentyl-2-[4-(dimethylsulfamoyl)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)C)cc3)sc2n1
InChIInChI=1S/C23H28N4O4S2/c1-27(2)33(29,30)17-10-8-16(9-11-17)18(14-15-6-4-5-7-15)21(28)26-23-24-19-12-13-20(31-3)25-22(19)32-23/h8-13,15,18H,4-7,14H2,1-3H3,(H,24,26,28)
InChIKeyPQQWGZZSLXLGEQ-UHFFFAOYSA-N
XLogP4.25
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 54.25
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-(dimethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The IUPAC name of 3-cyclopentyl-2-[4-(dimethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (CID 11540403) is 3-cyclopentyl-2-[4-(dimethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide.
What is the SMILES notation for 3-cyclopentyl-2-[4-(dimethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-[4-(dimethylsulfamoyl)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)C)cc3)sc2n1.
What is the InChIKey of 3-cyclopentyl-2-[4-(dimethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The InChIKey is PQQWGZZSLXLGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S2/c1-27(2)33(29,30)17-10-8-16(9-11-17)18(14-15-6-4-5-7-15)21(28)26-23-24-19-12-13-20(31-3)25-22(19)32-23/h8-13,15,18H,4-7,14H2,1-3H3,(H,24,26,28).
What are the key properties of 3-cyclopentyl-2-[4-(dimethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
3-cyclopentyl-2-[4-(dimethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide has a molecular weight of 488.64 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[4-(dimethylsulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide is sourced from PubChem (CID 11540403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).