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

C21H23FN4O4S2 — CID 53042430

IUPACN-(3-fluoro-4-methylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
SMILESCc1nc(-c2cc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(C)c(F)c4)C3)c(C)s2)no1
InChIInChI=1S/C21H23FN4O4S2/c1-12-6-7-16(9-17(12)22)24-21(27)15-5-4-8-26(11-15)32(28,29)19-10-18(31-13(19)2)20-23-14(3)30-25-20/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,24,27)
InChIKeyNHHNLTPPVOYVEH-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.90
Rot. Bonds5

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

N-(3-fluoro-4-methylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide (PubChem CID 53042430) has the molecular formula C21H23FN4O4S2 and a molecular weight of 478.57 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
PubChem CID53042430
Molecular FormulaC21H23FN4O4S2
Molecular Weight478.57 g/mol
Exact Mass478.11
IUPAC NameN-(3-fluoro-4-methylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
SMILESCc1nc(-c2cc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(C)c(F)c4)C3)c(C)s2)no1
InChIInChI=1S/C21H23FN4O4S2/c1-12-6-7-16(9-17(12)22)24-21(27)15-5-4-8-26(11-15)32(28,29)19-10-18(31-13(19)2)20-23-14(3)30-25-20/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,24,27)
InChIKeyNHHNLTPPVOYVEH-UHFFFAOYSA-N
XLogP3.90
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042406
(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 93075420
(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide
CID 93075433
(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 93075384
1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 53042422
(3R)-N-(2,3-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075328
(3R)-N-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075371
(3S)-1-[2-chloro-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide
CID 92726834
N-(3-fluoro-4-methylphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 50828782
[(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93075348
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
1-[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 53042530

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide (CID 53042430) is N-(3-fluoro-4-methylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide is Cc1nc(-c2cc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(C)c(F)c4)C3)c(C)s2)no1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide?
The InChIKey is NHHNLTPPVOYVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O4S2/c1-12-6-7-16(9-17(12)22)24-21(27)15-5-4-8-26(11-15)32(28,29)19-10-18(31-13(19)2)20-23-14(3)30-25-20/h6-7,9-10,15H,4-5,8,11H2,1-3H3,(H,24,27).
What are the key properties of N-(3-fluoro-4-methylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide?
N-(3-fluoro-4-methylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 53042430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).