1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate

C22H24N4O6S — CID 55563330

IUPAC1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OC(C)c2nc(-c3cccnc3)no2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C22H24N4O6S/c1-14(21-24-20(25-32-21)16-6-5-11-23-13-16)31-22(27)15-9-10-18(30-2)19(12-15)33(28,29)26-17-7-3-4-8-17/h5-6,9-14,17,26H,3-4,7-8H2,1-2H3
InChIKeyYQRAUMJYQVRVMC-UHFFFAOYSA-N
MW472.52 g/mol
LogP3.28
Rot. Bonds8

About 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate

1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate (PubChem CID 55563330) has the molecular formula C22H24N4O6S and a molecular weight of 472.52 g/mol. Its IUPAC name is 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
PubChem CID55563330
Molecular FormulaC22H24N4O6S
Molecular Weight472.52 g/mol
Exact Mass472.14
IUPAC Name1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OC(C)c2nc(-c3cccnc3)no2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C22H24N4O6S/c1-14(21-24-20(25-32-21)16-6-5-11-23-13-16)31-22(27)15-9-10-18(30-2)19(12-15)33(28,29)26-17-7-3-4-8-17/h5-6,9-14,17,26H,3-4,7-8H2,1-2H3
InChIKeyYQRAUMJYQVRVMC-UHFFFAOYSA-N
XLogP3.28
TPSA133.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 55546344
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(tert-butylsulfamoyl)-4-methoxybenzoate
CID 55562667
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
CID 55563446
[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 9475068
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 4-(difluoromethoxy)-3-methoxybenzoate
CID 55546414
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
CID 55475264
[(1S)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl] 2,6-dimethoxybenzoate
CID 52562351
3-(cyclopropylsulfamoyl)-4-methoxy-N-(1-pyridin-3-ylethyl)benzamide
CID 18163128
[1-(dimethylamino)-1-oxopropan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
CID 55392531
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 55546419
[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] 3-bromo-4-methoxybenzoate
CID 9380473
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55939073

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate (CID 55563330) is 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate is COc1ccc(C(=O)OC(C)c2nc(-c3cccnc3)no2)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate?
The InChIKey is YQRAUMJYQVRVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6S/c1-14(21-24-20(25-32-21)16-6-5-11-23-13-16)31-22(27)15-9-10-18(30-2)19(12-15)33(28,29)26-17-7-3-4-8-17/h5-6,9-14,17,26H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate?
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate has a molecular weight of 472.52 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 55563330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).