N-(4-fluoro-2-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide

C23H27FN4O4S2 — CID 53042138

IUPACN-(4-fluoro-2-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
SMILESCc1cc(F)ccc1NC(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C(C)C)n3)sc2C)CC1
InChIInChI=1S/C23H27FN4O4S2/c1-13(2)23-26-21(27-32-23)19-12-20(15(4)33-19)34(30,31)28-9-7-16(8-10-28)22(29)25-18-6-5-17(24)11-14(18)3/h5-6,11-13,16H,7-10H2,1-4H3,(H,25,29)
InChIKeyMVYKPSPSCAOCML-UHFFFAOYSA-N
MW506.63 g/mol
LogP4.72
Rot. Bonds6

About N-(4-fluoro-2-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide

N-(4-fluoro-2-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 53042138) has the molecular formula C23H27FN4O4S2 and a molecular weight of 506.63 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
PubChem CID53042138
Molecular FormulaC23H27FN4O4S2
Molecular Weight506.63 g/mol
Exact Mass506.15
IUPAC NameN-(4-fluoro-2-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
SMILESCc1cc(F)ccc1NC(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C(C)C)n3)sc2C)CC1
InChIInChI=1S/C23H27FN4O4S2/c1-13(2)23-26-21(27-32-23)19-12-20(15(4)33-19)34(30,31)28-9-7-16(8-10-28)22(29)25-18-6-5-17(24)11-14(18)3/h5-6,11-13,16H,7-10H2,1-4H3,(H,25,29)
InChIKeyMVYKPSPSCAOCML-UHFFFAOYSA-N
XLogP4.72
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.63
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042140
(3S)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075643
1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 53042083
N-(4-chlorophenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042126
N-cyclooctyl-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53078597
N-(3-fluorophenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042469
N-(2,4-dimethylphenyl)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042061
(3S)-N-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075625
1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 53042076
N-(2,5-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042602
(3S)-N-(2-ethylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075629
(4-methylpiperidin-1-yl)-[1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-4-yl]methanone
CID 53007020

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide (CID 53042138) is N-(4-fluoro-2-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide is Cc1cc(F)ccc1NC(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C(C)C)n3)sc2C)CC1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide?
The InChIKey is MVYKPSPSCAOCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O4S2/c1-13(2)23-26-21(27-32-23)19-12-20(15(4)33-19)34(30,31)28-9-7-16(8-10-28)22(29)25-18-6-5-17(24)11-14(18)3/h5-6,11-13,16H,7-10H2,1-4H3,(H,25,29).
What are the key properties of N-(4-fluoro-2-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide?
N-(4-fluoro-2-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 506.63 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53042138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).