4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide

C21H26N2O6S — CID 90589401

IUPAC4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C21H26N2O6S/c1-27-18-13-15(14-19(28-2)20(18)29-3)22-21(24)23-11-9-17(10-12-23)30(25,26)16-7-5-4-6-8-16/h4-8,13-14,17H,9-12H2,1-3H3,(H,22,24)
InChIKeyMDXUJPNQTAORAU-UHFFFAOYSA-N
MW434.51 g/mol
LogP3.18
Rot. Bonds6

About 4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide

4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide (PubChem CID 90589401) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
PubChem CID90589401
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Name4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc(OC)c1OC
InChIInChI=1S/C21H26N2O6S/c1-27-18-13-15(14-19(28-2)20(18)29-3)22-21(24)23-11-9-17(10-12-23)30(25,26)16-7-5-4-6-8-16/h4-8,13-14,17H,9-12H2,1-3H3,(H,22,24)
InChIKeyMDXUJPNQTAORAU-UHFFFAOYSA-N
XLogP3.18
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 90589407
N-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)sulfonylpiperidine-1-carboxamide
CID 90591984
3-(benzenesulfonyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 90585047
4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 20629076
N-(3,4,5-trimethoxyphenyl)azepane-1-carboxamide
CID 3051874
4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113108846
4-(benzenesulfonyl)-N-iodopiperidine-1-carboxamide
CID 143541768
7-(2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)-1,4-thiazepane-4-carboxamide
CID 90631400
[4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 90589371
3-ethylsulfonyl-N-(3,4,5-trimethoxyphenyl)azetidine-1-carboxamide
CID 121164575
4-(2-cyanophenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 3821127
(3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 97354940

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide (CID 90589401) is 4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide is COc1cc(NC(=O)N2CCC(S(=O)(=O)c3ccccc3)CC2)cc(OC)c1OC.
What is the InChIKey of 4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is MDXUJPNQTAORAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-27-18-13-15(14-19(28-2)20(18)29-3)22-21(24)23-11-9-17(10-12-23)30(25,26)16-7-5-4-6-8-16/h4-8,13-14,17H,9-12H2,1-3H3,(H,22,24).
What are the key properties of 4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 434.51 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 90589401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).