1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide

C16H24N2O4S — CID 700184

IUPAC1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1c(C)cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)c1C
InChIInChI=1S/C16H24N2O4S/c1-10-9-14(11(2)12(3)15(10)22-4)23(20,21)18-7-5-13(6-8-18)16(17)19/h9,13H,5-8H2,1-4H3,(H2,17,19)
InChIKeyYYRVTXFQEGQSNH-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.51
Rot. Bonds4

About 1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide

1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 700184) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID700184
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1c(C)cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)c1C
InChIInChI=1S/C16H24N2O4S/c1-10-9-14(11(2)12(3)15(10)22-4)23(20,21)18-7-5-13(6-8-18)16(17)19/h9,13H,5-8H2,1-4H3,(H2,17,19)
InChIKeyYYRVTXFQEGQSNH-UHFFFAOYSA-N
XLogP1.51
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-3,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 110758335
1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 29050686
methyl 4-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818580
1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 39730617
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 6462654
1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 15944020
1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1085510
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
1-[2-(4-methoxy-2,3,5-trimethylphenyl)acetyl]piperidine-4-carboxamide
CID 110769371
1-(4-bromo-2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 15944015
1-(4-bromo-5-methyl-2-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 25252524
1-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperidine-4-carboxamide
CID 3559679

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 700184) is 1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide is COc1c(C)cc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)c1C.
What is the InChIKey of 1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is YYRVTXFQEGQSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-10-9-14(11(2)12(3)15(10)22-4)23(20,21)18-7-5-13(6-8-18)16(17)19/h9,13H,5-8H2,1-4H3,(H2,17,19).
What are the key properties of 1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 700184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).