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

C22H26N4O6S2 — CID 53007082

IUPACN-(2,4-dimethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)C2)c(OC)c1
InChIInChI=1S/C22H26N4O6S2/c1-13-20(11-19(33-13)21-23-14(2)32-25-21)34(28,29)26-9-5-6-15(12-26)22(27)24-17-8-7-16(30-3)10-18(17)31-4/h7-8,10-11,15H,5-6,9,12H2,1-4H3,(H,24,27)
InChIKeyUCCBTOJMGKJIIY-UHFFFAOYSA-N
MW506.61 g/mol
LogP3.47
Rot. Bonds7

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

N-(2,4-dimethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide (PubChem CID 53007082) has the molecular formula C22H26N4O6S2 and a molecular weight of 506.61 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
PubChem CID53007082
Molecular FormulaC22H26N4O6S2
Molecular Weight506.61 g/mol
Exact Mass506.13
IUPAC NameN-(2,4-dimethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)C2)c(OC)c1
InChIInChI=1S/C22H26N4O6S2/c1-13-20(11-19(33-13)21-23-14(2)32-25-21)34(28,29)26-9-5-6-15(12-26)22(27)24-17-8-7-16(30-3)10-18(17)31-4/h7-8,10-11,15H,5-6,9,12H2,1-4H3,(H,24,27)
InChIKeyUCCBTOJMGKJIIY-UHFFFAOYSA-N
XLogP3.47
TPSA123.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.61
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(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)-N-(2-ethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93068330
(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)-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)-N-(2,4-dimethoxyphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895834
N-(2-methoxy-5-methylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxamide
CID 53042033
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-(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
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
[(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93075348

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide (CID 53007082) is N-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)sc3C)C2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide?
The InChIKey is UCCBTOJMGKJIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6S2/c1-13-20(11-19(33-13)21-23-14(2)32-25-21)34(28,29)26-9-5-6-15(12-26)22(27)24-17-8-7-16(30-3)10-18(17)31-4/h7-8,10-11,15H,5-6,9,12H2,1-4H3,(H,24,27).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide?
N-(2,4-dimethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide has a molecular weight of 506.61 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 53007082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).