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

C16H24N2O4S — CID 15944020

IUPAC1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H24N2O4S/c1-4-22-14-9-11(2)12(3)10-15(14)23(20,21)18-7-5-13(6-8-18)16(17)19/h9-10,13H,4-8H2,1-3H3,(H2,17,19)
InChIKeyDPGVNVQLGWJSJS-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.59
Rot. Bonds5

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

1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 15944020) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID15944020
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H24N2O4S/c1-4-22-14-9-11(2)12(3)10-15(14)23(20,21)18-7-5-13(6-8-18)16(17)19/h9-10,13H,4-8H2,1-3H3,(H2,17,19)
InChIKeyDPGVNVQLGWJSJS-UHFFFAOYSA-N
XLogP1.59
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-2-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2378712
ethyl 1-(5-ethoxy-2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 39116381
ethyl 1-(2,4,5-trimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 39116367
ethyl 1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 35291596
1-(5-amino-2,3-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 29050686
1-(3-ethoxy-4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 934597
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
1-(2,5-dichloro-4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1085510
1-(4-methoxy-2,3,5-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 700184
1-(2-methoxy-4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 39730617
1-(4-bromo-5-methyl-2-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 25252524
1-(4-butoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 15943754

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 15944020) is 1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide is CCOc1cc(C)c(C)cc1S(=O)(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is DPGVNVQLGWJSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-4-22-14-9-11(2)12(3)10-15(14)23(20,21)18-7-5-13(6-8-18)16(17)19/h9-10,13H,4-8H2,1-3H3,(H2,17,19).
What are the key properties of 1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4,5-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 15944020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).