(3S)-1-(4-methylphenyl)sulfonyl-N-propyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide

C23H28N4O4S2 — CID 30154047

IUPAC(3S)-1-(4-methylphenyl)sulfonyl-N-propyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCCCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C23H28N4O4S2/c1-3-12-26(16-21-24-22(25-31-21)20-7-5-14-32-20)23(28)18-6-4-13-27(15-18)33(29,30)19-10-8-17(2)9-11-19/h5,7-11,14,18H,3-4,6,12-13,15-16H2,1-2H3/t18-/m0/s1
InChIKeyNZAFTVHGVVAZJQ-SFHVURJKSA-N
MW488.64 g/mol
LogP3.95
Rot. Bonds8

About (3S)-1-(4-methylphenyl)sulfonyl-N-propyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide

(3S)-1-(4-methylphenyl)sulfonyl-N-propyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 30154047) has the molecular formula C23H28N4O4S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is (3S)-1-(4-methylphenyl)sulfonyl-N-propyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-methylphenyl)sulfonyl-N-propyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID30154047
Molecular FormulaC23H28N4O4S2
Molecular Weight488.64 g/mol
Exact Mass488.16
IUPAC Name(3S)-1-(4-methylphenyl)sulfonyl-N-propyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCCCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C23H28N4O4S2/c1-3-12-26(16-21-24-22(25-31-21)20-7-5-14-32-20)23(28)18-6-4-13-27(15-18)33(29,30)19-10-8-17(2)9-11-19/h5,7-11,14,18H,3-4,6,12-13,15-16H2,1-2H3/t18-/m0/s1
InChIKeyNZAFTVHGVVAZJQ-SFHVURJKSA-N
XLogP3.95
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3S)-1-(4-methylphenyl)sulfonyl-N-propyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-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

N-tert-butyl-1-(4-methylphenyl)sulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43889643
N-ethyl-1-ethylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 50946254
(3R)-N-methyl-1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 95119116
1-(4-methylphenyl)sulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 43889564
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168155
1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 50945072
1-(4-methylphenyl)sulfonyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43889559
1-(4-fluorophenyl)sulfonyl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 46401961
N-methyl-1-methylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 50946857
(3S)-1-(benzenesulfonyl)-N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 100663207
(3S)-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30153369
N-(4-morpholin-4-ylsulfonylphenyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935001

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methylphenyl)sulfonyl-N-propyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-methylphenyl)sulfonyl-N-propyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 30154047) is (3S)-1-(4-methylphenyl)sulfonyl-N-propyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-methylphenyl)sulfonyl-N-propyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-methylphenyl)sulfonyl-N-propyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is CCCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of (3S)-1-(4-methylphenyl)sulfonyl-N-propyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is NZAFTVHGVVAZJQ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H28N4O4S2/c1-3-12-26(16-21-24-22(25-31-21)20-7-5-14-32-20)23(28)18-6-4-13-27(15-18)33(29,30)19-10-8-17(2)9-11-19/h5,7-11,14,18H,3-4,6,12-13,15-16H2,1-2H3/t18-/m0/s1.
What are the key properties of (3S)-1-(4-methylphenyl)sulfonyl-N-propyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
(3S)-1-(4-methylphenyl)sulfonyl-N-propyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 488.64 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methylphenyl)sulfonyl-N-propyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 30154047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).