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

C21H24N4O4S2 — CID 50829130

IUPAC1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
SMILESCCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4cccc(C)c4)C3)c2)no1
InChIInChI=1S/C21H24N4O4S2/c1-3-18-23-20(24-29-18)16-11-19(30-13-16)31(27,28)25-9-5-7-15(12-25)21(26)22-17-8-4-6-14(2)10-17/h4,6,8,10-11,13,15H,3,5,7,9,12H2,1-2H3,(H,22,26)
InChIKeyPESCDTBEAFLVCG-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.71
Rot. Bonds6

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

1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide (PubChem CID 50829130) has the molecular formula C21H24N4O4S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
PubChem CID50829130
Molecular FormulaC21H24N4O4S2
Molecular Weight460.58 g/mol
Exact Mass460.12
IUPAC Name1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
SMILESCCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4cccc(C)c4)C3)c2)no1
InChIInChI=1S/C21H24N4O4S2/c1-3-18-23-20(24-29-18)16-11-19(30-13-16)31(27,28)25-9-5-7-15(12-25)21(26)22-17-8-4-6-14(2)10-17/h4,6,8,10-11,13,15H,3,5,7,9,12H2,1-2H3,(H,22,26)
InChIKeyPESCDTBEAFLVCG-UHFFFAOYSA-N
XLogP3.71
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-ethylphenyl)piperidine-3-carboxamide
CID 92896136
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluoro-4-methylphenyl)piperidine-3-carboxamide
CID 50829038
(3S)-N-(4-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896055
(3R)-N-(4-acetylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896034
(3S)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 92896051
(3R)-N-(2-chlorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92896162
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(4-fluoro-2-methylphenyl)piperidine-3-carboxamide
CID 50829076
(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92896092
(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 92896170
(3R)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92896176
N-(2,5-difluorophenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 50829087
(3S)-N-(3-chlorophenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 92895855

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide (CID 50829130) is 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide is CCc1nc(-c2csc(S(=O)(=O)N3CCCC(C(=O)Nc4cccc(C)c4)C3)c2)no1.
What is the InChIKey of 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is PESCDTBEAFLVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S2/c1-3-18-23-20(24-29-18)16-11-19(30-13-16)31(27,28)25-9-5-7-15(12-25)21(26)22-17-8-4-6-14(2)10-17/h4,6,8,10-11,13,15H,3,5,7,9,12H2,1-2H3,(H,22,26).
What are the key properties of 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide?
1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide has a molecular weight of 460.58 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 50829130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).