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

C17H21ClN4O4S — CID 90602172

IUPAC1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1noc(CNC(=O)C2CCN(S(=O)(=O)c3cccc(Cl)c3C)CC2)n1
InChIInChI=1S/C17H21ClN4O4S/c1-11-14(18)4-3-5-15(11)27(24,25)22-8-6-13(7-9-22)17(23)19-10-16-20-12(2)21-26-16/h3-5,13H,6-10H2,1-2H3,(H,19,23)
InChIKeyCBOJXCNCMSYTFO-UHFFFAOYSA-N
MW412.90 g/mol
LogP2.06
Rot. Bonds5

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

1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 90602172) has the molecular formula C17H21ClN4O4S and a molecular weight of 412.90 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID90602172
Molecular FormulaC17H21ClN4O4S
Molecular Weight412.90 g/mol
Exact Mass412.10
IUPAC Name1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCc1noc(CNC(=O)C2CCN(S(=O)(=O)c3cccc(Cl)c3C)CC2)n1
InChIInChI=1S/C17H21ClN4O4S/c1-11-14(18)4-3-5-15(11)27(24,25)22-8-6-13(7-9-22)17(23)19-10-16-20-12(2)21-26-16/h3-5,13H,6-10H2,1-2H3,(H,19,23)
InChIKeyCBOJXCNCMSYTFO-UHFFFAOYSA-N
XLogP2.06
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 56724154
1-(4-ethylphenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602176
1-(2-methylbenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602058
1-(3-bromobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602078
1-N-(4-chlorophenyl)-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1,4-dicarboxamide
CID 90602133
1-(3-cyanobenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602032
1-(3-methoxybenzoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 90602064
1-[4-(dimethylsulfamoyl)benzoyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 56724136
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 56724145
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 90602180
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-methylsulfonylazetidine-3-carboxamide
CID 90513257
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(quinoxaline-2-carbonyl)piperidine-4-carboxamide
CID 90602247

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide (CID 90602172) is 1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is Cc1noc(CNC(=O)C2CCN(S(=O)(=O)c3cccc(Cl)c3C)CC2)n1.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is CBOJXCNCMSYTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O4S/c1-11-14(18)4-3-5-15(11)27(24,25)22-8-6-13(7-9-22)17(23)19-10-16-20-12(2)21-26-16/h3-5,13H,6-10H2,1-2H3,(H,19,23).
What are the key properties of 1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide?
1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 412.90 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 90602172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).