4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide

C18H24N4O4S — CID 2155593

IUPAC4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)o1
InChIInChI=1S/C18H24N4O4S/c1-4-16-20-21-18(26-16)19-17(23)14-5-7-15(8-6-14)27(24,25)22-10-12(2)9-13(3)11-22/h5-8,12-13H,4,9-11H2,1-3H3,(H,19,21,23)/t12-,13-/m0/s1
InChIKeyAXJVYMBIZHHKNL-STQMWFEESA-N
MW392.48 g/mol
LogP2.55
Rot. Bonds5

About 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide

4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 2155593) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID2155593
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)o1
InChIInChI=1S/C18H24N4O4S/c1-4-16-20-21-18(26-16)19-17(23)14-5-7-15(8-6-14)27(24,25)22-10-12(2)9-13(3)11-22/h5-8,12-13H,4,9-11H2,1-3H3,(H,19,21,23)/t12-,13-/m0/s1
InChIKeyAXJVYMBIZHHKNL-STQMWFEESA-N
XLogP2.55
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2155651
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974020
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2051172
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 25328763
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973737
4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2155646
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 16821788
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975096
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 43973222
N-(2-butylpyrazol-3-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55674727
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 43973728
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 75815245

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide (CID 2155593) is 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide is CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)o1.
What is the InChIKey of 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is AXJVYMBIZHHKNL-STQMWFEESA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-4-16-20-21-18(26-16)19-17(23)14-5-7-15(8-6-14)27(24,25)22-10-12(2)9-13(3)11-22/h5-8,12-13H,4,9-11H2,1-3H3,(H,19,21,23)/t12-,13-/m0/s1.
What are the key properties of 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide?
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 392.48 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-ethyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 2155593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).