3,4-dihydro-2H-quinolin-1-yl-[1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone

C23H26N4O4S2 — CID 53042412

IUPAC3,4-dihydro-2H-quinolin-1-yl-[1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone
SMILESCc1nc(-c2cc(S(=O)(=O)N3CCCC(C(=O)N4CCCc5ccccc54)C3)c(C)s2)no1
InChIInChI=1S/C23H26N4O4S2/c1-15-21(13-20(32-15)22-24-16(2)31-25-22)33(29,30)26-11-5-9-18(14-26)23(28)27-12-6-8-17-7-3-4-10-19(17)27/h3-4,7,10,13,18H,5-6,8-9,11-12,14H2,1-2H3
InChIKeyQSMDIRGWCDEXFC-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.80
Rot. Bonds4

About 3,4-dihydro-2H-quinolin-1-yl-[1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone (PubChem CID 53042412) has the molecular formula C23H26N4O4S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone
PubChem CID53042412
Molecular FormulaC23H26N4O4S2
Molecular Weight486.62 g/mol
Exact Mass486.14
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone
SMILESCc1nc(-c2cc(S(=O)(=O)N3CCCC(C(=O)N4CCCc5ccccc54)C3)c(C)s2)no1
InChIInChI=1S/C23H26N4O4S2/c1-15-21(13-20(32-15)22-24-16(2)31-25-22)33(29,30)26-11-5-9-18(14-26)23(28)27-12-6-8-17-7-3-4-10-19(17)27/h3-4,7,10,13,18H,5-6,8-9,11-12,14H2,1-2H3
InChIKeyQSMDIRGWCDEXFC-UHFFFAOYSA-N
XLogP3.80
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93075348
(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-(4-methylphenyl)piperidine-3-carboxamide
CID 93075420
N-(4-fluorophenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53042406
(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
3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-3-yl]methanone
CID 93075617
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
(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
(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-(2,4-dimethylphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 93075371
N-(2,4-dimethoxyphenyl)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidine-3-carboxamide
CID 53007082

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone (CID 53042412) is 3,4-dihydro-2H-quinolin-1-yl-[1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone is Cc1nc(-c2cc(S(=O)(=O)N3CCCC(C(=O)N4CCCc5ccccc54)C3)c(C)s2)no1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone?
The InChIKey is QSMDIRGWCDEXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S2/c1-15-21(13-20(32-15)22-24-16(2)31-25-22)33(29,30)26-11-5-9-18(14-26)23(28)27-12-6-8-17-7-3-4-10-19(17)27/h3-4,7,10,13,18H,5-6,8-9,11-12,14H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone has a molecular weight of 486.62 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone is sourced from PubChem (CID 53042412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).