N-[2-[(2S)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonyl-4-methylphenyl]acetamide

C21H21ClN4O4S — CID 95116732

IUPACN-[2-[(2S)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonyl-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C21H21ClN4O4S/c1-13-5-10-17(23-14(2)27)19(12-13)31(28,29)26-11-3-4-18(26)21-24-20(25-30-21)15-6-8-16(22)9-7-15/h5-10,12,18H,3-4,11H2,1-2H3,(H,23,27)/t18-/m0/s1
InChIKeyQDXFODFYCXEQMC-SFHVURJKSA-N
MW460.94 g/mol
LogP4.18
Rot. Bonds5

About N-[2-[(2S)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonyl-4-methylphenyl]acetamide

N-[2-[(2S)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonyl-4-methylphenyl]acetamide (PubChem CID 95116732) has the molecular formula C21H21ClN4O4S and a molecular weight of 460.94 g/mol. Its IUPAC name is N-[2-[(2S)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonyl-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2S)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonyl-4-methylphenyl]acetamide
PubChem CID95116732
Molecular FormulaC21H21ClN4O4S
Molecular Weight460.94 g/mol
Exact Mass460.10
IUPAC NameN-[2-[(2S)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonyl-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C21H21ClN4O4S/c1-13-5-10-17(23-14(2)27)19(12-13)31(28,29)26-11-3-4-18(26)21-24-20(25-30-21)15-6-8-16(22)9-7-15/h5-10,12,18H,3-4,11H2,1-2H3,(H,23,27)/t18-/m0/s1
InChIKeyQDXFODFYCXEQMC-SFHVURJKSA-N
XLogP4.18
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.94
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(2S)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonyl-4-methylphenyl]acetamide 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

5-[(2S)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 93071706
3-(4-chlorophenyl)-5-[1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53206234
5-[(2S)-1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 93071714
(2S)-N-(2,4-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7347789
5-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 8795196
5-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53206219
3-(4-chlorophenyl)-5-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95116737
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 42765290
N-(2,4-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760812
N-[2-chloro-4-[(2R)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 95116760
3-(4-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 3959570
4-chloro-N-[2-[(2S)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 93071672

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonyl-4-methylphenyl]acetamide?
The IUPAC name of N-[2-[(2S)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonyl-4-methylphenyl]acetamide (CID 95116732) is N-[2-[(2S)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonyl-4-methylphenyl]acetamide.
What is the SMILES notation for N-[2-[(2S)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonyl-4-methylphenyl]acetamide?
The canonical SMILES for N-[2-[(2S)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonyl-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[2-[(2S)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonyl-4-methylphenyl]acetamide?
The InChIKey is QDXFODFYCXEQMC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H21ClN4O4S/c1-13-5-10-17(23-14(2)27)19(12-13)31(28,29)26-11-3-4-18(26)21-24-20(25-30-21)15-6-8-16(22)9-7-15/h5-10,12,18H,3-4,11H2,1-2H3,(H,23,27)/t18-/m0/s1.
What are the key properties of N-[2-[(2S)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonyl-4-methylphenyl]acetamide?
N-[2-[(2S)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonyl-4-methylphenyl]acetamide has a molecular weight of 460.94 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]sulfonyl-4-methylphenyl]acetamide is sourced from PubChem (CID 95116732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).