1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide

C26H30N4O4S — CID 92715052

IUPAC1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
SMILESCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)N[C@@H]4CCCc5ccccc54)CC3)c2)no1
InChIInChI=1S/C26H30N4O4S/c1-17-10-11-21(25-27-18(2)34-29-25)16-24(17)35(32,33)30-14-12-20(13-15-30)26(31)28-23-9-5-7-19-6-3-4-8-22(19)23/h3-4,6,8,10-11,16,20,23H,5,7,9,12-15H2,1-2H3,(H,28,31)/t23-/m1/s1
InChIKeyNKJZPYBXDCLZQP-HSZRJFAPSA-N
MW494.62 g/mol
LogP3.95
Rot. Bonds5

About 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide

1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide (PubChem CID 92715052) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
PubChem CID92715052
Molecular FormulaC26H30N4O4S
Molecular Weight494.62 g/mol
Exact Mass494.20
IUPAC Name1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
SMILESCc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)N[C@@H]4CCCc5ccccc54)CC3)c2)no1
InChIInChI=1S/C26H30N4O4S/c1-17-10-11-21(25-27-18(2)34-29-25)16-24(17)35(32,33)30-14-12-20(13-15-30)26(31)28-23-9-5-7-19-6-3-4-8-22(19)23/h3-4,6,8,10-11,16,20,23H,5,7,9,12-15H2,1-2H3,(H,28,31)/t23-/m1/s1
InChIKeyNKJZPYBXDCLZQP-HSZRJFAPSA-N
XLogP3.95
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 7092142
N-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide
CID 46366050
1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-pyridin-3-ylpiperidine-4-carboxamide
CID 46365961
N-cyclohexyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide
CID 46366049
2-methyl-5-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 95116339
1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-phenylpiperidine-4-carboxamide
CID 50808351
(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-phenylpiperidine-3-carboxamide
CID 92726855
1-(2,5-dichlorophenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 28551085
1-ethylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 17435645
3,4-dihydro-1H-isoquinolin-2-yl-[(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylpiperidin-3-yl]methanone
CID 92726850
(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92731305
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 43927735

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide (CID 92715052) is 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide is Cc1nc(-c2ccc(C)c(S(=O)(=O)N3CCC(C(=O)N[C@@H]4CCCc5ccccc54)CC3)c2)no1.
What is the InChIKey of 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
The InChIKey is NKJZPYBXDCLZQP-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-17-10-11-21(25-27-18(2)34-29-25)16-24(17)35(32,33)30-14-12-20(13-15-30)26(31)28-23-9-5-7-19-6-3-4-8-22(19)23/h3-4,6,8,10-11,16,20,23H,5,7,9,12-15H2,1-2H3,(H,28,31)/t23-/m1/s1.
What are the key properties of 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide has a molecular weight of 494.62 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide is sourced from PubChem (CID 92715052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).