N-[(3S,4S)-1-benzylsulfonyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]-2-methoxyacetamide

C18H24N4O5S — CID 91915773

IUPACN-[(3S,4S)-1-benzylsulfonyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CN(S(=O)(=O)Cc2ccccc2)CC[C@@H]1c1nc(C)no1
InChIInChI=1S/C18H24N4O5S/c1-13-19-18(27-21-13)15-8-9-22(10-16(15)20-17(23)11-26-2)28(24,25)12-14-6-4-3-5-7-14/h3-7,15-16H,8-12H2,1-2H3,(H,20,23)/t15-,16+/m0/s1
InChIKeyWGLPQWDCPLOOGL-JKSUJKDBSA-N
MW408.48 g/mol
LogP0.83
Rot. Bonds7

About N-[(3S,4S)-1-benzylsulfonyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]-2-methoxyacetamide

N-[(3S,4S)-1-benzylsulfonyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]-2-methoxyacetamide (PubChem CID 91915773) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[(3S,4S)-1-benzylsulfonyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-benzylsulfonyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]-2-methoxyacetamide
PubChem CID91915773
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC NameN-[(3S,4S)-1-benzylsulfonyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CN(S(=O)(=O)Cc2ccccc2)CC[C@@H]1c1nc(C)no1
InChIInChI=1S/C18H24N4O5S/c1-13-19-18(27-21-13)15-8-9-22(10-16(15)20-17(23)11-26-2)28(24,25)12-14-6-4-3-5-7-14/h3-7,15-16H,8-12H2,1-2H3,(H,20,23)/t15-,16+/m0/s1
InChIKeyWGLPQWDCPLOOGL-JKSUJKDBSA-N
XLogP0.83
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-benzylsulfonyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[(3S,4S)-1-benzylsulfonyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]-2-methoxyacetamide (CID 91915773) is N-[(3S,4S)-1-benzylsulfonyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3S,4S)-1-benzylsulfonyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(3S,4S)-1-benzylsulfonyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]-2-methoxyacetamide is COCC(=O)N[C@@H]1CN(S(=O)(=O)Cc2ccccc2)CC[C@@H]1c1nc(C)no1.
What is the InChIKey of N-[(3S,4S)-1-benzylsulfonyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]-2-methoxyacetamide?
The InChIKey is WGLPQWDCPLOOGL-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-13-19-18(27-21-13)15-8-9-22(10-16(15)20-17(23)11-26-2)28(24,25)12-14-6-4-3-5-7-14/h3-7,15-16H,8-12H2,1-2H3,(H,20,23)/t15-,16+/m0/s1.
What are the key properties of N-[(3S,4S)-1-benzylsulfonyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]-2-methoxyacetamide?
N-[(3S,4S)-1-benzylsulfonyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]-2-methoxyacetamide has a molecular weight of 408.48 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-benzylsulfonyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 91915773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).