1-(benzenesulfonyl)-N-(3,4-diethoxyphenyl)piperidine-4-carboxamide

C22H28N2O5S — CID 71904171

IUPAC1-(benzenesulfonyl)-N-(3,4-diethoxyphenyl)piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OCC
InChIInChI=1S/C22H28N2O5S/c1-3-28-20-11-10-18(16-21(20)29-4-2)23-22(25)17-12-14-24(15-13-17)30(26,27)19-8-6-5-7-9-19/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,23,25)
InChIKeyPQLJQKALZHPLPH-UHFFFAOYSA-N
MW432.54 g/mol
LogP3.52
Rot. Bonds8

About 1-(benzenesulfonyl)-N-(3,4-diethoxyphenyl)piperidine-4-carboxamide

1-(benzenesulfonyl)-N-(3,4-diethoxyphenyl)piperidine-4-carboxamide (PubChem CID 71904171) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-(3,4-diethoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-(3,4-diethoxyphenyl)piperidine-4-carboxamide
PubChem CID71904171
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name1-(benzenesulfonyl)-N-(3,4-diethoxyphenyl)piperidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OCC
InChIInChI=1S/C22H28N2O5S/c1-3-28-20-11-10-18(16-21(20)29-4-2)23-22(25)17-12-14-24(15-13-17)30(26,27)19-8-6-5-7-9-19/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,23,25)
InChIKeyPQLJQKALZHPLPH-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 1072838
1-(4-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 26705393
1-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 1326765
ethyl 2-[4-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]phenyl]acetate
CID 100798707
1-(3,4-diethoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 45445124
N-(2-ethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1077678
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 16551227
1-(2-cyanophenyl)sulfonyl-N-(3,4-dipropoxyphenyl)piperidine-4-carboxamide
CID 26920976
1-(benzenesulfonyl)-N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43073815
1-(benzenesulfonyl)-N-[3-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide
CID 39131296
1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 4962927
N-(3,5-difluorophenyl)-1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 34169348

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-(3,4-diethoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-(3,4-diethoxyphenyl)piperidine-4-carboxamide (CID 71904171) is 1-(benzenesulfonyl)-N-(3,4-diethoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-(3,4-diethoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-(3,4-diethoxyphenyl)piperidine-4-carboxamide is CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OCC.
What is the InChIKey of 1-(benzenesulfonyl)-N-(3,4-diethoxyphenyl)piperidine-4-carboxamide?
The InChIKey is PQLJQKALZHPLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-3-28-20-11-10-18(16-21(20)29-4-2)23-22(25)17-12-14-24(15-13-17)30(26,27)19-8-6-5-7-9-19/h5-11,16-17H,3-4,12-15H2,1-2H3,(H,23,25).
What are the key properties of 1-(benzenesulfonyl)-N-(3,4-diethoxyphenyl)piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-(3,4-diethoxyphenyl)piperidine-4-carboxamide has a molecular weight of 432.54 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-(3,4-diethoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 71904171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).