4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C23H26N4O4S2 — CID 43977174

IUPAC4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(SC)c3)o2)cc1
InChIInChI=1S/C23H26N4O4S2/c1-3-18-8-4-5-14-27(18)33(29,30)20-12-10-16(11-13-20)21(28)24-23-26-25-22(31-23)17-7-6-9-19(15-17)32-2/h6-7,9-13,15,18H,3-5,8,14H2,1-2H3,(H,24,26,28)
InChIKeyLDMGLCNQVHURKR-UHFFFAOYSA-N
MW486.62 g/mol
LogP4.66
Rot. Bonds7

About 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43977174) has the molecular formula C23H26N4O4S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID43977174
Molecular FormulaC23H26N4O4S2
Molecular Weight486.62 g/mol
Exact Mass486.14
IUPAC Name4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(SC)c3)o2)cc1
InChIInChI=1S/C23H26N4O4S2/c1-3-18-8-4-5-14-27(18)33(29,30)20-12-10-16(11-13-20)21(28)24-23-26-25-22(31-23)17-7-6-9-19(15-17)32-2/h6-7,9-13,15,18H,3-5,8,14H2,1-2H3,(H,24,26,28)
InChIKeyLDMGLCNQVHURKR-UHFFFAOYSA-N
XLogP4.66
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977195
4-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028179
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzamide
CID 2159038
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2S)-2-ethylpiperidin-1-yl]sulfonylbenzamide
CID 2159037
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3338156
N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41228458
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 43974344
4-(2-methylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977165
1-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43977768
4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028147
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide
CID 109061511
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 7158195

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 43977174) is 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(SC)c3)o2)cc1.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is LDMGLCNQVHURKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S2/c1-3-18-8-4-5-14-27(18)33(29,30)20-12-10-16(11-13-20)21(28)24-23-26-25-22(31-23)17-7-6-9-19(15-17)32-2/h6-7,9-13,15,18H,3-5,8,14H2,1-2H3,(H,24,26,28).
What are the key properties of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 486.62 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43977174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).