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

C28H37N5O4S2 — CID 11628382

IUPAC3-cyclopentyl-2-[4-[(1-ethylpiperidin-3-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
SMILESCCN1CCCC(NS(=O)(=O)c2ccc(C(CC3CCCC3)C(=O)Nc3nc4ccc(OC)nc4s3)cc2)C1
InChIInChI=1S/C28H37N5O4S2/c1-3-33-16-6-9-21(18-33)32-39(35,36)22-12-10-20(11-13-22)23(17-19-7-4-5-8-19)26(34)31-28-29-24-14-15-25(37-2)30-27(24)38-28/h10-15,19,21,23,32H,3-9,16-18H2,1-2H3,(H,29,31,34)
InChIKeyGFTTYDPZNWTCRK-UHFFFAOYSA-N
MW571.77 g/mol
LogP4.77
Rot. Bonds10

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

3-cyclopentyl-2-[4-[(1-ethylpiperidin-3-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (PubChem CID 11628382) has the molecular formula C28H37N5O4S2 and a molecular weight of 571.77 g/mol. Its IUPAC name is 3-cyclopentyl-2-[4-[(1-ethylpiperidin-3-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-[4-[(1-ethylpiperidin-3-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
PubChem CID11628382
Molecular FormulaC28H37N5O4S2
Molecular Weight571.77 g/mol
Exact Mass571.23
IUPAC Name3-cyclopentyl-2-[4-[(1-ethylpiperidin-3-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
SMILESCCN1CCCC(NS(=O)(=O)c2ccc(C(CC3CCCC3)C(=O)Nc3nc4ccc(OC)nc4s3)cc2)C1
InChIInChI=1S/C28H37N5O4S2/c1-3-33-16-6-9-21(18-33)32-39(35,36)22-12-10-20(11-13-22)23(17-19-7-4-5-8-19)26(34)31-28-29-24-14-15-25(37-2)30-27(24)38-28/h10-15,19,21,23,32H,3-9,16-18H2,1-2H3,(H,29,31,34)
InChIKeyGFTTYDPZNWTCRK-UHFFFAOYSA-N
XLogP4.77
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.77
LogP ≤ 54.77
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-[(1-ethylpiperidin-3-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The IUPAC name of 3-cyclopentyl-2-[4-[(1-ethylpiperidin-3-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (CID 11628382) is 3-cyclopentyl-2-[4-[(1-ethylpiperidin-3-yl)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-[(1-ethylpiperidin-3-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The canonical SMILES for 3-cyclopentyl-2-[4-[(1-ethylpiperidin-3-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide is CCN1CCCC(NS(=O)(=O)c2ccc(C(CC3CCCC3)C(=O)Nc3nc4ccc(OC)nc4s3)cc2)C1.
What is the InChIKey of 3-cyclopentyl-2-[4-[(1-ethylpiperidin-3-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The InChIKey is GFTTYDPZNWTCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O4S2/c1-3-33-16-6-9-21(18-33)32-39(35,36)22-12-10-20(11-13-22)23(17-19-7-4-5-8-19)26(34)31-28-29-24-14-15-25(37-2)30-27(24)38-28/h10-15,19,21,23,32H,3-9,16-18H2,1-2H3,(H,29,31,34).
What are the key properties of 3-cyclopentyl-2-[4-[(1-ethylpiperidin-3-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
3-cyclopentyl-2-[4-[(1-ethylpiperidin-3-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide has a molecular weight of 571.77 g/mol, XLogP of 4.77, 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-[(1-ethylpiperidin-3-yl)sulfamoyl]phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide is sourced from PubChem (CID 11628382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).