N-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide

C24H28N4O4S — CID 46366092

IUPACN-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCCC(C(=O)Nc4cccc(C)c4C)C3)c2)no1
InChIInChI=1S/C24H28N4O4S/c1-15-7-5-9-21(17(15)3)26-24(29)20-8-6-12-28(14-20)33(30,31)22-13-19(11-10-16(22)2)23-25-18(4)32-27-23/h5,7,9-11,13,20H,6,8,12,14H2,1-4H3,(H,26,29)
InChIKeyLZJZODFWVJFVFB-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.01
Rot. Bonds5

About N-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide

N-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide (PubChem CID 46366092) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide
PubChem CID46366092
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC NameN-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCCC(C(=O)Nc4cccc(C)c4C)C3)c2)no1
InChIInChI=1S/C24H28N4O4S/c1-15-7-5-9-21(17(15)3)26-24(29)20-8-6-12-28(14-20)33(30,31)22-13-19(11-10-16(22)2)23-25-18(4)32-27-23/h5,7,9-11,13,20H,6,8,12,14H2,1-4H3,(H,26,29)
InChIKeyLZJZODFWVJFVFB-UHFFFAOYSA-N
XLogP4.01
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-3-carboxamide
CID 92726855
(3R)-N-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075328
N-(2-ethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 46366107
(3S)-N-(2-chloro-4-fluorophenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 92726854
1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 50808353
(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92731305
N-(3-chloro-2-methylphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 50828758
(3R)-N-(3-chloro-2-methylphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895910
N-[(3-methoxyphenyl)methyl]-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 46366103
1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 46288566
N-(2,3-dimethylphenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042449
(3R)-N-[(2-methoxyphenyl)methyl]-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 92502551

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide (CID 46366092) is N-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide is Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCCC(C(=O)Nc4cccc(C)c4C)C3)c2)no1.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The InChIKey is LZJZODFWVJFVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-15-7-5-9-21(17(15)3)26-24(29)20-8-6-12-28(14-20)33(30,31)22-13-19(11-10-16(22)2)23-25-18(4)32-27-23/h5,7,9-11,13,20H,6,8,12,14H2,1-4H3,(H,26,29).
What are the key properties of N-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide?
N-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 46366092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).