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

C23H25FN4O4S — CID 16917803

IUPACN-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(Cc2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)o2)c(C)c1
InChIInChI=1S/C23H25FN4O4S/c1-15-3-4-18(16(2)13-15)14-21-26-27-23(32-21)25-22(29)17-9-11-28(12-10-17)33(30,31)20-7-5-19(24)6-8-20/h3-8,13,17H,9-12,14H2,1-2H3,(H,25,27,29)
InChIKeyPMHVUGGXANNWSL-UHFFFAOYSA-N
MW472.54 g/mol
LogP3.46
Rot. Bonds6

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

N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 16917803) has the molecular formula C23H25FN4O4S and a molecular weight of 472.54 g/mol. Its IUPAC name is N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID16917803
Molecular FormulaC23H25FN4O4S
Molecular Weight472.54 g/mol
Exact Mass472.16
IUPAC NameN-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(Cc2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)o2)c(C)c1
InChIInChI=1S/C23H25FN4O4S/c1-15-3-4-18(16(2)13-15)14-21-26-27-23(32-21)25-22(29)17-9-11-28(12-10-17)33(30,31)20-7-5-19(24)6-8-20/h3-8,13,17H,9-12,14H2,1-2H3,(H,25,27,29)
InChIKeyPMHVUGGXANNWSL-UHFFFAOYSA-N
XLogP3.46
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43975226
1-(4-chlorophenyl)sulfonyl-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43974410
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16824114
1-(4-methylphenyl)sulfonyl-N-[5-(phenylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 44921553
ethyl 4-[4-[[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate
CID 16917725
N-[(2,4-dimethylphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55583735
1-(4-fluorophenyl)sulfonyl-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 154724997
1-(4-fluorophenyl)sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43977771
1-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43974141
1-(4-methylphenyl)sulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 16861405
1-(4-fluorophenyl)sulfonyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 1078408
1-(benzenesulfonyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 8831496

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 16917803) is N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(Cc2nnc(NC(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)o2)c(C)c1.
What is the InChIKey of N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is PMHVUGGXANNWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4S/c1-15-3-4-18(16(2)13-15)14-21-26-27-23(32-21)25-22(29)17-9-11-28(12-10-17)33(30,31)20-7-5-19(24)6-8-20/h3-8,13,17H,9-12,14H2,1-2H3,(H,25,27,29).
What are the key properties of N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 472.54 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 16917803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).