1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate

C24H27N3O6S — CID 55475264

IUPAC1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OC(C)c2nnc(-c3ccc(C)cc3)o2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C24H27N3O6S/c1-15-8-10-17(11-9-15)23-26-25-22(33-23)16(2)32-24(28)18-12-13-20(31-3)21(14-18)34(29,30)27-19-6-4-5-7-19/h8-14,16,19,27H,4-7H2,1-3H3
InChIKeyLABPHCMIXJNLGN-UHFFFAOYSA-N
MW485.56 g/mol
LogP4.19
Rot. Bonds8

About 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate

1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate (PubChem CID 55475264) has the molecular formula C24H27N3O6S and a molecular weight of 485.56 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
PubChem CID55475264
Molecular FormulaC24H27N3O6S
Molecular Weight485.56 g/mol
Exact Mass485.16
IUPAC Name1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OC(C)c2nnc(-c3ccc(C)cc3)o2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C24H27N3O6S/c1-15-8-10-17(11-9-15)23-26-25-22(33-23)16(2)32-24(28)18-12-13-20(31-3)21(14-18)34(29,30)27-19-6-4-5-7-19/h8-14,16,19,27H,4-7H2,1-3H3
InChIKeyLABPHCMIXJNLGN-UHFFFAOYSA-N
XLogP4.19
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-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-methyl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
CID 55563446
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
CID 55563330
N-cyclopentyl-2-methoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098172
[1-(dimethylamino)-1-oxopropan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
CID 55392531
[(2R)-1-amino-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 8700551
[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 4-chlorobenzoate
CID 9413145
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 7991178
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 3,4-dimethylbenzoate
CID 9290691
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 24626536
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(cyclopentylsulfamoyl)-4-methoxybenzoate
CID 55405064
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 4-(hydroxymethyl)benzoate
CID 47009407
3-(cyclobutylsulfamoyl)-4-methoxybenzoic acid
CID 55067218

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate (CID 55475264) is 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate is COc1ccc(C(=O)OC(C)c2nnc(-c3ccc(C)cc3)o2)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate?
The InChIKey is LABPHCMIXJNLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O6S/c1-15-8-10-17(11-9-15)23-26-25-22(33-23)16(2)32-24(28)18-12-13-20(31-3)21(14-18)34(29,30)27-19-6-4-5-7-19/h8-14,16,19,27H,4-7H2,1-3H3.
What are the key properties of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate?
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate has a molecular weight of 485.56 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 55475264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).