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

C23H26N4O4S — CID 30153369

IUPAC(3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3nc(-c4cccc(C)c4)no3)C2)cc1
InChIInChI=1S/C23H26N4O4S/c1-16-8-10-20(11-9-16)32(29,30)27-12-4-7-19(15-27)23(28)24-14-21-25-22(26-31-21)18-6-3-5-17(2)13-18/h3,5-6,8-11,13,19H,4,7,12,14-15H2,1-2H3,(H,24,28)/t19-/m0/s1
InChIKeyZYCMDAOGHIEALJ-IBGZPJMESA-N
MW454.55 g/mol
LogP3.07
Rot. Bonds6

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

(3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 30153369) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is (3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID30153369
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name(3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3nc(-c4cccc(C)c4)no3)C2)cc1
InChIInChI=1S/C23H26N4O4S/c1-16-8-10-20(11-9-16)32(29,30)27-12-4-7-19(15-27)23(28)24-14-21-25-22(26-31-21)18-6-3-5-17(2)13-18/h3,5-6,8-11,13,19H,4,7,12,14-15H2,1-2H3,(H,24,28)/t19-/m0/s1
InChIKeyZYCMDAOGHIEALJ-IBGZPJMESA-N
XLogP3.07
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)sulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43889559
(3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95119180
1-(benzenesulfonyl)-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 133167913
(3S)-1-(4-fluorophenyl)sulfonyl-N-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 100672067
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168155
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 132664328
N-[(2-methylphenyl)methyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929942
(3S)-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 93074856
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 133187913
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 132669499
N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100650655
(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92896092

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide (CID 30153369) is (3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCc3nc(-c4cccc(C)c4)no3)C2)cc1.
What is the InChIKey of (3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is ZYCMDAOGHIEALJ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26N4O4S/c1-16-8-10-20(11-9-16)32(29,30)27-12-4-7-19(15-27)23(28)24-14-21-25-22(26-31-21)18-6-3-5-17(2)13-18/h3,5-6,8-11,13,19H,4,7,12,14-15H2,1-2H3,(H,24,28)/t19-/m0/s1.
What are the key properties of (3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide?
(3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 30153369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).