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

C27H28N4O4S2 — CID 11512165

IUPAC3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(phenylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)sc2n1
InChIInChI=1S/C27H28N4O4S2/c1-35-24-16-15-23-26(29-24)36-27(28-23)30-25(32)22(17-18-7-5-6-8-18)19-11-13-21(14-12-19)37(33,34)31-20-9-3-2-4-10-20/h2-4,9-16,18,22,31H,5-8,17H2,1H3,(H,28,30,32)
InChIKeyJBPRBDOCDYFVCJ-UHFFFAOYSA-N
MW536.68 g/mol
LogP5.80
Rot. Bonds9

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

3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(phenylsulfamoyl)phenyl]propanamide (PubChem CID 11512165) has the molecular formula C27H28N4O4S2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(phenylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(phenylsulfamoyl)phenyl]propanamide
PubChem CID11512165
Molecular FormulaC27H28N4O4S2
Molecular Weight536.68 g/mol
Exact Mass536.16
IUPAC Name3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(phenylsulfamoyl)phenyl]propanamide
SMILESCOc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)sc2n1
InChIInChI=1S/C27H28N4O4S2/c1-35-24-16-15-23-26(29-24)36-27(28-23)30-25(32)22(17-18-7-5-6-8-18)19-11-13-21(14-12-19)37(33,34)31-20-9-3-2-4-10-20/h2-4,9-16,18,22,31H,5-8,17H2,1H3,(H,28,30,32)
InChIKeyJBPRBDOCDYFVCJ-UHFFFAOYSA-N
XLogP5.80
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(phenylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(phenylsulfamoyl)phenyl]propanamide (CID 11512165) is 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(phenylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(phenylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(phenylsulfamoyl)phenyl]propanamide is COc1ccc2nc(NC(=O)C(CC3CCCC3)c3ccc(S(=O)(=O)Nc4ccccc4)cc3)sc2n1.
What is the InChIKey of 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(phenylsulfamoyl)phenyl]propanamide?
The InChIKey is JBPRBDOCDYFVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4S2/c1-35-24-16-15-23-26(29-24)36-27(28-23)30-25(32)22(17-18-7-5-6-8-18)19-11-13-21(14-12-19)37(33,34)31-20-9-3-2-4-10-20/h2-4,9-16,18,22,31H,5-8,17H2,1H3,(H,28,30,32).
What are the key properties of 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(phenylsulfamoyl)phenyl]propanamide?
3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(phenylsulfamoyl)phenyl]propanamide has a molecular weight of 536.68 g/mol, XLogP of 5.80, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)-2-[4-(phenylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 11512165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).