4-ethoxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide

C23H30N2O5S — CID 108560402

IUPAC4-ethoxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCCOc1ccc(C(=O)NC2CCN(S(=O)(=O)c3cc(C)c(C)cc3OC)CC2)cc1
InChIInChI=1S/C23H30N2O5S/c1-5-30-20-8-6-18(7-9-20)23(26)24-19-10-12-25(13-11-19)31(27,28)22-15-17(3)16(2)14-21(22)29-4/h6-9,14-15,19H,5,10-13H2,1-4H3,(H,24,26)
InChIKeyMXTSHNVVQVSIEY-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.29
Rot. Bonds7

About 4-ethoxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide

4-ethoxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide (PubChem CID 108560402) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
PubChem CID108560402
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Name4-ethoxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
SMILESCCOc1ccc(C(=O)NC2CCN(S(=O)(=O)c3cc(C)c(C)cc3OC)CC2)cc1
InChIInChI=1S/C23H30N2O5S/c1-5-30-20-8-6-18(7-9-20)23(26)24-19-10-12-25(13-11-19)31(27,28)22-15-17(3)16(2)14-21(22)29-4/h6-9,14-15,19H,5,10-13H2,1-4H3,(H,24,26)
InChIKeyMXTSHNVVQVSIEY-UHFFFAOYSA-N
XLogP3.29
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
CID 108560371
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
CID 108560401
2-hydroxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 108560151
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108564642
2-(4-fluorophenyl)-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559494
N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108561738
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]-4-ethoxybenzamide
CID 108551882
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide
CID 108562193
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559242
methyl N-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]carbamate
CID 110823359
N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethoxybenzamide
CID 108559133

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide (CID 108560402) is 4-ethoxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide is CCOc1ccc(C(=O)NC2CCN(S(=O)(=O)c3cc(C)c(C)cc3OC)CC2)cc1.
What is the InChIKey of 4-ethoxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide?
The InChIKey is MXTSHNVVQVSIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-5-30-20-8-6-18(7-9-20)23(26)24-19-10-12-25(13-11-19)31(27,28)22-15-17(3)16(2)14-21(22)29-4/h6-9,14-15,19H,5,10-13H2,1-4H3,(H,24,26).
What are the key properties of 4-ethoxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide?
4-ethoxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide has a molecular weight of 446.57 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidin-4-yl]benzamide is sourced from PubChem (CID 108560402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).