3-methyl-N-[4-[(2S)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonylphenyl]butanamide

C24H28N4O4S — CID 95116763

IUPAC3-methyl-N-[4-[(2S)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonylphenyl]butanamide
SMILESCc1ccccc1-c1noc([C@@H]2CCCN2S(=O)(=O)c2ccc(NC(=O)CC(C)C)cc2)n1
InChIInChI=1S/C24H28N4O4S/c1-16(2)15-22(29)25-18-10-12-19(13-11-18)33(30,31)28-14-6-9-21(28)24-26-23(27-32-24)20-8-5-4-7-17(20)3/h4-5,7-8,10-13,16,21H,6,9,14-15H2,1-3H3,(H,25,29)/t21-/m0/s1
InChIKeyQTCSHEHCXWHXJH-NRFANRHFSA-N
MW468.58 g/mol
LogP4.56
Rot. Bonds7

About 3-methyl-N-[4-[(2S)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonylphenyl]butanamide

3-methyl-N-[4-[(2S)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonylphenyl]butanamide (PubChem CID 95116763) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 3-methyl-N-[4-[(2S)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonylphenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-[(2S)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonylphenyl]butanamide
PubChem CID95116763
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name3-methyl-N-[4-[(2S)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonylphenyl]butanamide
SMILESCc1ccccc1-c1noc([C@@H]2CCCN2S(=O)(=O)c2ccc(NC(=O)CC(C)C)cc2)n1
InChIInChI=1S/C24H28N4O4S/c1-16(2)15-22(29)25-18-10-12-19(13-11-18)33(30,31)28-14-6-9-21(28)24-26-23(27-32-24)20-8-5-4-7-17(20)3/h4-5,7-8,10-13,16,21H,6,9,14-15H2,1-3H3,(H,25,29)/t21-/m0/s1
InChIKeyQTCSHEHCXWHXJH-NRFANRHFSA-N
XLogP4.56
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[4-[(2S)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonylphenyl]butanamide 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

N-[2-chloro-4-[(2R)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 95116760
5-[(2R)-1-(5-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 95116742
3-phenyl-5-[(2S)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93071699
(2R)-N-(4-ethoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95116643
(2S)-N-(4-ethoxyphenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95116644
[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 53206099
5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 3930433
3-(3-methylphenyl)-5-[(2R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95116774
3-(2-chlorophenyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 3758767
3-(3-chlorophenyl)-5-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53206278
5-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 8795196
5-[(2S)-1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 95116778

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[(2S)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonylphenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-[(2S)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonylphenyl]butanamide (CID 95116763) is 3-methyl-N-[4-[(2S)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonylphenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-[(2S)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonylphenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-[(2S)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonylphenyl]butanamide is Cc1ccccc1-c1noc([C@@H]2CCCN2S(=O)(=O)c2ccc(NC(=O)CC(C)C)cc2)n1.
What is the InChIKey of 3-methyl-N-[4-[(2S)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonylphenyl]butanamide?
The InChIKey is QTCSHEHCXWHXJH-NRFANRHFSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-16(2)15-22(29)25-18-10-12-19(13-11-18)33(30,31)28-14-6-9-21(28)24-26-23(27-32-24)20-8-5-4-7-17(20)3/h4-5,7-8,10-13,16,21H,6,9,14-15H2,1-3H3,(H,25,29)/t21-/m0/s1.
What are the key properties of 3-methyl-N-[4-[(2S)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonylphenyl]butanamide?
3-methyl-N-[4-[(2S)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonylphenyl]butanamide has a molecular weight of 468.58 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[(2S)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonylphenyl]butanamide is sourced from PubChem (CID 95116763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).