1-methylsulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide

C19H26N4O6S2 — CID 43974990

IUPAC1-methylsulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(Cc2nnc(NC(=O)C3CCN(S(C)(=O)=O)CC3)o2)cc1
InChIInChI=1S/C19H26N4O6S2/c1-13(2)31(27,28)16-6-4-14(5-7-16)12-17-21-22-19(29-17)20-18(24)15-8-10-23(11-9-15)30(3,25)26/h4-7,13,15H,8-12H2,1-3H3,(H,20,22,24)
InChIKeyCRRCCAVJFCKGKS-UHFFFAOYSA-N
MW470.57 g/mol
LogP1.45
Rot. Bonds7

About 1-methylsulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide

1-methylsulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 43974990) has the molecular formula C19H26N4O6S2 and a molecular weight of 470.57 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
PubChem CID43974990
Molecular FormulaC19H26N4O6S2
Molecular Weight470.57 g/mol
Exact Mass470.13
IUPAC Name1-methylsulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCC(C)S(=O)(=O)c1ccc(Cc2nnc(NC(=O)C3CCN(S(C)(=O)=O)CC3)o2)cc1
InChIInChI=1S/C19H26N4O6S2/c1-13(2)31(27,28)16-6-4-14(5-7-16)12-17-21-22-19(29-17)20-18(24)15-8-10-23(11-9-15)30(3,25)26/h4-7,13,15H,8-12H2,1-3H3,(H,20,22,24)
InChIKeyCRRCCAVJFCKGKS-UHFFFAOYSA-N
XLogP1.45
TPSA139.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43974956
1-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43975226
1-methylsulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43973630
1-(4-methylphenyl)sulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-2-carboxamide
CID 43974969
1-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43974141
1-(4-chlorophenyl)sulfonyl-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43974410
2-phenyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43974889
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 43973293
1-(4-chlorophenyl)sulfonyl-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 43973618
2-phenylsulfanyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43974901
4-methylsulfanyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974919
N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 43974762

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 43974990) is 1-methylsulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is CC(C)S(=O)(=O)c1ccc(Cc2nnc(NC(=O)C3CCN(S(C)(=O)=O)CC3)o2)cc1.
What is the InChIKey of 1-methylsulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is CRRCCAVJFCKGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O6S2/c1-13(2)31(27,28)16-6-4-14(5-7-16)12-17-21-22-19(29-17)20-18(24)15-8-10-23(11-9-15)30(3,25)26/h4-7,13,15H,8-12H2,1-3H3,(H,20,22,24).
What are the key properties of 1-methylsulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
1-methylsulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 43974990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).