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

C21H28N4O4S — CID 55528409

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1nc(C2(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4C)c3)CCCC2)no1
InChIInChI=1S/C21H28N4O4S/c1-15-8-3-6-13-25(15)30(27,28)18-10-7-9-17(14-18)19(26)23-21(11-4-5-12-21)20-22-16(2)29-24-20/h7,9-10,14-15H,3-6,8,11-13H2,1-2H3,(H,23,26)
InChIKeyJLFCGFAJWOQALJ-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.14
Rot. Bonds5

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

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55528409) has the molecular formula C21H28N4O4S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55528409
Molecular FormulaC21H28N4O4S
Molecular Weight432.55 g/mol
Exact Mass432.18
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1nc(C2(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4C)c3)CCCC2)no1
InChIInChI=1S/C21H28N4O4S/c1-15-8-3-6-13-25(15)30(27,28)18-10-7-9-17(14-18)19(26)23-21(11-4-5-12-21)20-22-16(2)29-24-20/h7,9-10,14-15H,3-6,8,11-13H2,1-2H3,(H,23,26)
InChIKeyJLFCGFAJWOQALJ-UHFFFAOYSA-N
XLogP3.14
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622459
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-methylsulfonylbenzamide
CID 55528264
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55765691
3-(cyclopropylmethylsulfamoyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
CID 55980465
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
N-[1-(ethylcarbamoyl)cyclohexyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55968305
4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622238
3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085937
2-bromo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55538923
N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119629639
N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 78767659
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 55528409) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is Cc1nc(C2(NC(=O)c3cccc(S(=O)(=O)N4CCCCC4C)c3)CCCC2)no1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is JLFCGFAJWOQALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4S/c1-15-8-3-6-13-25(15)30(27,28)18-10-7-9-17(14-18)19(26)23-21(11-4-5-12-21)20-22-16(2)29-24-20/h7,9-10,14-15H,3-6,8,11-13H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 432.55 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55528409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).