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

C19H26N4O4S2 — CID 53042931

IUPACN-cyclohexyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
SMILESCc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)NC4CCCCC4)CC3)c2)no1
InChIInChI=1S/C19H26N4O4S2/c1-13-20-18(22-27-13)15-11-17(28-12-15)29(25,26)23-9-7-14(8-10-23)19(24)21-16-5-3-2-4-6-16/h11-12,14,16H,2-10H2,1H3,(H,21,24)
InChIKeyAUBTXUNSZCARKA-UHFFFAOYSA-N
MW438.58 g/mol
LogP2.96
Rot. Bonds5

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

N-cyclohexyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 53042931) has the molecular formula C19H26N4O4S2 and a molecular weight of 438.58 g/mol. Its IUPAC name is N-cyclohexyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
PubChem CID53042931
Molecular FormulaC19H26N4O4S2
Molecular Weight438.58 g/mol
Exact Mass438.14
IUPAC NameN-cyclohexyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
SMILESCc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)NC4CCCCC4)CC3)c2)no1
InChIInChI=1S/C19H26N4O4S2/c1-13-20-18(22-27-13)15-11-17(28-12-15)29(25,26)23-9-7-14(8-10-23)19(24)21-16-5-3-2-4-6-16/h11-12,14,16H,2-10H2,1H3,(H,21,24)
InChIKeyAUBTXUNSZCARKA-UHFFFAOYSA-N
XLogP2.96
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-cycloheptyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 46385551
N-cyclooctyl-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53114356
(3R)-N-cyclooctyl-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896068
N-[(2-chlorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53042928
N-(2-ethoxyphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53042969
N-(2,5-dimethoxyphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53042949
(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-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 50828691
(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
(3R)-N-(2-methoxyethyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895946
N-(3-chloro-2-methylphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 50828758

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide (CID 53042931) is N-cyclohexyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide is Cc1nc(-c2csc(S(=O)(=O)N3CCC(C(=O)NC4CCCCC4)CC3)c2)no1.
What is the InChIKey of N-cyclohexyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
The InChIKey is AUBTXUNSZCARKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S2/c1-13-20-18(22-27-13)15-11-17(28-12-15)29(25,26)23-9-7-14(8-10-23)19(24)21-16-5-3-2-4-6-16/h11-12,14,16H,2-10H2,1H3,(H,21,24).
What are the key properties of N-cyclohexyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide?
N-cyclohexyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 438.58 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 53042931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).