1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide

C22H28N2O5S — CID 2956112

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N2O5S/c1-28-19-8-9-20(29-2)21(16-19)30(26,27)24-14-11-18(12-15-24)22(25)23-13-10-17-6-4-3-5-7-17/h3-9,16,18H,10-15H2,1-2H3,(H,23,25)
InChIKeyCAODQIWAYJVCHS-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.46
Rot. Bonds8

About 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide

1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 2956112) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID2956112
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N2O5S/c1-28-19-8-9-20(29-2)21(16-19)30(26,27)24-14-11-18(12-15-24)22(25)23-13-10-17-6-4-3-5-7-17/h3-9,16,18H,10-15H2,1-2H3,(H,23,25)
InChIKeyCAODQIWAYJVCHS-UHFFFAOYSA-N
XLogP2.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide (CID 2956112) is 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide is COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is CAODQIWAYJVCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-28-19-8-9-20(29-2)21(16-19)30(26,27)24-14-11-18(12-15-24)22(25)23-13-10-17-6-4-3-5-7-17/h3-9,16,18H,10-15H2,1-2H3,(H,23,25).
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide?
1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 432.54 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2956112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).