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

C22H24N4O4S — CID 55765691

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1nc(-c2ccccc2NC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)no1
InChIInChI=1S/C22H24N4O4S/c1-15-8-5-6-13-26(15)31(28,29)18-10-7-9-17(14-18)22(27)24-20-12-4-3-11-19(20)21-23-16(2)30-25-21/h3-4,7,9-12,14-15H,5-6,8,13H2,1-2H3,(H,24,27)
InChIKeyNZGNXOCRMWIDLQ-UHFFFAOYSA-N
MW440.53 g/mol
LogP3.86
Rot. Bonds5

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

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55765691) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55765691
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1nc(-c2ccccc2NC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)no1
InChIInChI=1S/C22H24N4O4S/c1-15-8-5-6-13-26(15)31(28,29)18-10-7-9-17(14-18)22(27)24-20-12-4-3-11-19(20)21-23-16(2)30-25-21/h3-4,7,9-12,14-15H,5-6,8,13H2,1-2H3,(H,24,27)
InChIKeyNZGNXOCRMWIDLQ-UHFFFAOYSA-N
XLogP3.86
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9411283
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55528409
N-(5-chloro-2-methylphenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8502363
3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085937
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
1-(benzenesulfonyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperidine-3-carboxamide
CID 55765498
4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-phenylphenyl)benzamide
CID 112789629
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 16575285
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55383504
N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119516218
N-(2-chloro-4,6-dimethylphenyl)-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 26200344
N-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55979789

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 55765691) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is Cc1nc(-c2ccccc2NC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)no1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is NZGNXOCRMWIDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-15-8-5-6-13-26(15)31(28,29)18-10-7-9-17(14-18)22(27)24-20-12-4-3-11-19(20)21-23-16(2)30-25-21/h3-4,7,9-12,14-15H,5-6,8,13H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 440.53 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55765691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).