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

C24H29N5O5S2 — CID 87236117

IUPAC2-[4-[carbamoyl(ethyl)sulfamoyl]phenyl]-3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
SMILESCCN(C(N)=O)S(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nc3ccc(OC)nc3s2)cc1
InChIInChI=1S/C24H29N5O5S2/c1-3-29(23(25)31)36(32,33)17-10-8-16(9-11-17)18(14-15-6-4-5-7-15)21(30)28-24-26-19-12-13-20(34-2)27-22(19)35-24/h8-13,15,18H,3-7,14H2,1-2H3,(H2,25,31)(H,26,28,30)
InChIKeyNOHGJWOMQINXDU-UHFFFAOYSA-N
MW531.66 g/mol
LogP4.09
Rot. Bonds9

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

2-[4-[carbamoyl(ethyl)sulfamoyl]phenyl]-3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (PubChem CID 87236117) has the molecular formula C24H29N5O5S2 and a molecular weight of 531.66 g/mol. Its IUPAC name is 2-[4-[carbamoyl(ethyl)sulfamoyl]phenyl]-3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide.

Molecular Properties

Compound Name2-[4-[carbamoyl(ethyl)sulfamoyl]phenyl]-3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
PubChem CID87236117
Molecular FormulaC24H29N5O5S2
Molecular Weight531.66 g/mol
Exact Mass531.16
IUPAC Name2-[4-[carbamoyl(ethyl)sulfamoyl]phenyl]-3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide
SMILESCCN(C(N)=O)S(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nc3ccc(OC)nc3s2)cc1
InChIInChI=1S/C24H29N5O5S2/c1-3-29(23(25)31)36(32,33)17-10-8-16(9-11-17)18(14-15-6-4-5-7-15)21(30)28-24-26-19-12-13-20(34-2)27-22(19)35-24/h8-13,15,18H,3-7,14H2,1-2H3,(H2,25,31)(H,26,28,30)
InChIKeyNOHGJWOMQINXDU-UHFFFAOYSA-N
XLogP4.09
TPSA144.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.66
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[carbamoyl(ethyl)sulfamoyl]phenyl]-3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The IUPAC name of 2-[4-[carbamoyl(ethyl)sulfamoyl]phenyl]-3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide (CID 87236117) is 2-[4-[carbamoyl(ethyl)sulfamoyl]phenyl]-3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide.
What is the SMILES notation for 2-[4-[carbamoyl(ethyl)sulfamoyl]phenyl]-3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The canonical SMILES for 2-[4-[carbamoyl(ethyl)sulfamoyl]phenyl]-3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide is CCN(C(N)=O)S(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2nc3ccc(OC)nc3s2)cc1.
What is the InChIKey of 2-[4-[carbamoyl(ethyl)sulfamoyl]phenyl]-3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
The InChIKey is NOHGJWOMQINXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5S2/c1-3-29(23(25)31)36(32,33)17-10-8-16(9-11-17)18(14-15-6-4-5-7-15)21(30)28-24-26-19-12-13-20(34-2)27-22(19)35-24/h8-13,15,18H,3-7,14H2,1-2H3,(H2,25,31)(H,26,28,30).
What are the key properties of 2-[4-[carbamoyl(ethyl)sulfamoyl]phenyl]-3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide?
2-[4-[carbamoyl(ethyl)sulfamoyl]phenyl]-3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide has a molecular weight of 531.66 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[carbamoyl(ethyl)sulfamoyl]phenyl]-3-cyclopentyl-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide is sourced from PubChem (CID 87236117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).