N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide

C25H30N4O4S — CID 43974344

IUPACN-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(C)c(C)c3)o2)cc1
InChIInChI=1S/C25H30N4O4S/c1-4-21-7-5-6-14-29(21)34(31,32)22-12-10-20(11-13-22)24(30)26-25-28-27-23(33-25)16-19-9-8-17(2)18(3)15-19/h8-13,15,21H,4-7,14,16H2,1-3H3,(H,26,28,30)
InChIKeyWYJDXQNAUXVPQZ-UHFFFAOYSA-N
MW482.61 g/mol
LogP4.48
Rot. Bonds7

About N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide

N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 43974344) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
PubChem CID43974344
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC NameN-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(C)c(C)c3)o2)cc1
InChIInChI=1S/C25H30N4O4S/c1-4-21-7-5-6-14-29(21)34(31,32)22-12-10-20(11-13-22)24(30)26-25-28-27-23(33-25)16-19-9-8-17(2)18(3)15-19/h8-13,15,21H,4-7,14,16H2,1-3H3,(H,26,28,30)
InChIKeyWYJDXQNAUXVPQZ-UHFFFAOYSA-N
XLogP4.48
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-ethylpiperidin-1-yl)sulfonyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3338156
4-[cyclohexyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974341
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 43973728
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 43973184
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-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977174
4-(2-ethylpiperidin-1-yl)sulfonyl-N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977195
1-(4-chlorophenyl)sulfonyl-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 43974410
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(2-methylphenyl)benzamide
CID 109061511
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 16823108
N-(5-methyl-1,3,4-oxadiazol-2-yl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 2155664

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide (CID 43974344) is N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide is CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(C)c(C)c3)o2)cc1.
What is the InChIKey of N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is WYJDXQNAUXVPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-4-21-7-5-6-14-29(21)34(31,32)22-12-10-20(11-13-22)24(30)26-25-28-27-23(33-25)16-19-9-8-17(2)18(3)15-19/h8-13,15,21H,4-7,14,16H2,1-3H3,(H,26,28,30).
What are the key properties of N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide?
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 482.61 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 43974344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).