N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide

C21H32N2O5S — CID 91906150

IUPACN-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
SMILESCCc1ccccc1S(=O)(=O)N1CCC(N(C(=O)COC)C2CCOCC2)CC1
InChIInChI=1S/C21H32N2O5S/c1-3-17-6-4-5-7-20(17)29(25,26)22-12-8-18(9-13-22)23(21(24)16-27-2)19-10-14-28-15-11-19/h4-7,18-19H,3,8-16H2,1-2H3
InChIKeyLRHUSBDKOUSENZ-UHFFFAOYSA-N
MW424.56 g/mol
LogP2.06
Rot. Bonds7

About N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide

N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide (PubChem CID 91906150) has the molecular formula C21H32N2O5S and a molecular weight of 424.56 g/mol. Its IUPAC name is N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
PubChem CID91906150
Molecular FormulaC21H32N2O5S
Molecular Weight424.56 g/mol
Exact Mass424.20
IUPAC NameN-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
SMILESCCc1ccccc1S(=O)(=O)N1CCC(N(C(=O)COC)C2CCOCC2)CC1
InChIInChI=1S/C21H32N2O5S/c1-3-17-6-4-5-7-20(17)29(25,26)22-12-8-18(9-13-22)23(21(24)16-27-2)19-10-14-28-15-11-19/h4-7,18-19H,3,8-16H2,1-2H3
InChIKeyLRHUSBDKOUSENZ-UHFFFAOYSA-N
XLogP2.06
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.56
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide?
The IUPAC name of N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide (CID 91906150) is N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide?
The canonical SMILES for N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide is CCc1ccccc1S(=O)(=O)N1CCC(N(C(=O)COC)C2CCOCC2)CC1.
What is the InChIKey of N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide?
The InChIKey is LRHUSBDKOUSENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O5S/c1-3-17-6-4-5-7-20(17)29(25,26)22-12-8-18(9-13-22)23(21(24)16-27-2)19-10-14-28-15-11-19/h4-7,18-19H,3,8-16H2,1-2H3.
What are the key properties of N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide?
N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide has a molecular weight of 424.56 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylphenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 91906150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).