1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C15H22N2O4S — CID 756572

IUPAC1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)cc1C
InChIInChI=1S/C15H22N2O4S/c1-10-8-11(2)14(9-13(10)21-3)22(19,20)17-6-4-12(5-7-17)15(16)18/h8-9,12H,4-7H2,1-3H3,(H2,16,18)
InChIKeyQGPMLHHBTHCXOD-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.20
Rot. Bonds4

About 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 756572) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID756572
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)cc1C
InChIInChI=1S/C15H22N2O4S/c1-10-8-11(2)14(9-13(10)21-3)22(19,20)17-6-4-12(5-7-17)15(16)18/h8-9,12H,4-7H2,1-3H3,(H2,16,18)
InChIKeyQGPMLHHBTHCXOD-UHFFFAOYSA-N
XLogP1.20
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-methoxy-N,2,4-trimethylbenzenesulfonamide
CID 975173
1-(4-Methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088331
[(5-Methoxy-2,4-dimethylphenyl)sulfonyl]pyrrolidine
CID 850003
N-cyclohexyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 850062
N,N-diethyl-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 2284278
N-[2-(4-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 2296076
[(5-Ethoxy-2,4-dimethylphenyl)sulfonyl](3-morpholin-4-ylpropyl)amine
CID 2235525
N-[2-(4-methoxyphenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 1287941
1-(5-Methoxy-2,4-dimethylphenyl)sulfonyl-4-methylpiperazine
CID 801476
2-Ethyl-1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine
CID 2933359
1-(5-Methoxy-2,4-dimethylphenyl)sulfonylazepane
CID 6471798
5-Methoxy-2,4-dimethyl-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzenesulfonamide
CID 579968

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 756572) is 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is COc1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)cc1C.
What is the InChIKey of 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is QGPMLHHBTHCXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-10-8-11(2)14(9-13(10)21-3)22(19,20)17-6-4-12(5-7-17)15(16)18/h8-9,12H,4-7H2,1-3H3,(H2,16,18).
What are the key properties of 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 756572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).