N-[2-(4-methoxyphenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

C24H32N2O4S — CID 1287941

IUPACN-[2-(4-methoxyphenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1
InChIInChI=1S/C24H32N2O4S/c1-17-15-18(2)23(19(3)16-17)31(28,29)26-13-10-21(11-14-26)24(27)25-12-9-20-5-7-22(30-4)8-6-20/h5-8,15-16,21H,9-14H2,1-4H3,(H,25,27)
InChIKeyQCJPKDMYHLRJDW-UHFFFAOYSA-N
MW444.60 g/mol
LogP3.38
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1287941) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1287941
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1
InChIInChI=1S/C24H32N2O4S/c1-17-15-18(2)23(19(3)16-17)31(28,29)26-13-10-21(11-14-26)24(27)25-12-9-20-5-7-22(30-4)8-6-20/h5-8,15-16,21H,9-14H2,1-4H3,(H,25,27)
InChIKeyQCJPKDMYHLRJDW-UHFFFAOYSA-N
XLogP3.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-methoxyphenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 1287941) is N-[2-(4-methoxyphenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is QCJPKDMYHLRJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-17-15-18(2)23(19(3)16-17)31(28,29)26-13-10-21(11-14-26)24(27)25-12-9-20-5-7-22(30-4)8-6-20/h5-8,15-16,21H,9-14H2,1-4H3,(H,25,27).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 444.60 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1287941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).