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

C19H21N5O4S2 — CID 50828691

IUPAC1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)cs3)C2)nc1
InChIInChI=1S/C19H21N5O4S2/c1-12-5-6-16(20-9-12)22-19(25)14-4-3-7-24(10-14)30(26,27)17-8-15(11-29-17)18-21-13(2)28-23-18/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3,(H,20,22,25)
InChIKeyJWNFAHVRYCVDAT-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.85
Rot. Bonds5

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

1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 50828691) has the molecular formula C19H21N5O4S2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID50828691
Molecular FormulaC19H21N5O4S2
Molecular Weight447.54 g/mol
Exact Mass447.10
IUPAC Name1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)cs3)C2)nc1
InChIInChI=1S/C19H21N5O4S2/c1-12-5-6-16(20-9-12)22-19(25)14-4-3-7-24(10-14)30(26,27)17-8-15(11-29-17)18-21-13(2)28-23-18/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3,(H,20,22,25)
InChIKeyJWNFAHVRYCVDAT-UHFFFAOYSA-N
XLogP2.85
TPSA118.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3S)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 92895845
(3R)-N-(4-chlorophenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895856
N-cycloheptyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 46385551
(3S)-N-(4-ethoxyphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895899
(3S)-N-(2-fluorophenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895885
(3S)-N-ethyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895949
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[2-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 50828919
(3S)-N-(3-chlorophenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895855
(3R)-N-(2-ethylphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895880
N-(3-chloro-2-methylphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 50828758
N-(3-fluoro-4-methylphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 50828782
(3R)-N-(3-chloro-2-methylphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895910

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 50828691) is 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cc(-c4noc(C)n4)cs3)C2)nc1.
What is the InChIKey of 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is JWNFAHVRYCVDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4S2/c1-12-5-6-16(20-9-12)22-19(25)14-4-3-7-24(10-14)30(26,27)17-8-15(11-29-17)18-21-13(2)28-23-18/h5-6,8-9,11,14H,3-4,7,10H2,1-2H3,(H,20,22,25).
What are the key properties of 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 50828691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).