1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide

C23H30N2O6S — CID 2963985

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1
InChIInChI=1S/C23H30N2O6S/c1-29-19-6-4-17(5-7-19)10-13-24-23(26)18-11-14-25(15-12-18)32(27,28)22-16-20(30-2)8-9-21(22)31-3/h4-9,16,18H,10-15H2,1-3H3,(H,24,26)
InChIKeyYFMRRFLPRBFSRX-UHFFFAOYSA-N
MW462.57 g/mol
LogP2.47
Rot. Bonds9

About 1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide

1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 2963985) has the molecular formula C23H30N2O6S and a molecular weight of 462.57 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID2963985
Molecular FormulaC23H30N2O6S
Molecular Weight462.57 g/mol
Exact Mass462.18
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1
InChIInChI=1S/C23H30N2O6S/c1-29-19-6-4-17(5-7-19)10-13-24-23(26)18-11-14-25(15-12-18)32(27,28)22-16-20(30-2)8-9-21(22)31-3/h4-9,16,18H,10-15H2,1-3H3,(H,24,26)
InChIKeyYFMRRFLPRBFSRX-UHFFFAOYSA-N
XLogP2.47
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide (CID 2963985) is 1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide is COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is YFMRRFLPRBFSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6S/c1-29-19-6-4-17(5-7-19)10-13-24-23(26)18-11-14-25(15-12-18)32(27,28)22-16-20(30-2)8-9-21(22)31-3/h4-9,16,18H,10-15H2,1-3H3,(H,24,26).
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide?
1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 462.57 g/mol, XLogP of 2.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 2963985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).