4-(3-ethylphenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine

C21H27NO4S — CID 110420735

IUPAC4-(3-ethylphenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
SMILESCCc1cccc(OC2CCN(S(=O)(=O)c3ccc(OC)cc3C)CC2)c1
InChIInChI=1S/C21H27NO4S/c1-4-17-6-5-7-20(15-17)26-18-10-12-22(13-11-18)27(23,24)21-9-8-19(25-3)14-16(21)2/h5-9,14-15,18H,4,10-13H2,1-3H3
InChIKeyHNDSXMUAMPWNGF-UHFFFAOYSA-N
MW389.52 g/mol
LogP3.80
Rot. Bonds6

About 4-(3-ethylphenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine

4-(3-ethylphenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine (PubChem CID 110420735) has the molecular formula C21H27NO4S and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-(3-ethylphenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(3-ethylphenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
PubChem CID110420735
Molecular FormulaC21H27NO4S
Molecular Weight389.52 g/mol
Exact Mass389.17
IUPAC Name4-(3-ethylphenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
SMILESCCc1cccc(OC2CCN(S(=O)(=O)c3ccc(OC)cc3C)CC2)c1
InChIInChI=1S/C21H27NO4S/c1-4-17-6-5-7-20(15-17)26-18-10-12-22(13-11-18)27(23,24)21-9-8-19(25-3)14-16(21)2/h5-9,14-15,18H,4,10-13H2,1-3H3
InChIKeyHNDSXMUAMPWNGF-UHFFFAOYSA-N
XLogP3.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110358902
4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine
CID 110420727
4-[1-[1-(4-methoxy-2-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617492
1-(4-methoxy-2-methylphenyl)sulfonyl-4-[methoxy(phenyl)methyl]piperidine
CID 110357844
1-(2,4-dimethylphenyl)sulfonyl-4-[2-(3-methoxyphenyl)ethyl]piperazine
CID 110412373
1-[(3-chlorophenyl)methyl]-4-(4-methoxy-2-methylphenyl)sulfonylpiperazine
CID 110399108
4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629229
4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 171678466
1-(4-cyclopentyloxy-2-methylphenyl)sulfonyl-3-(ethoxymethyl)piperidine
CID 110617222
1-[4-(3-ethylphenoxy)piperidin-1-yl]propan-1-one
CID 110603192
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethyl-1-(2-phenylethyl)piperazine
CID 110658354
4-(4-fluorophenyl)sulfonyl-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 90589883

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine?
The IUPAC name of 4-(3-ethylphenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine (CID 110420735) is 4-(3-ethylphenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(3-ethylphenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(3-ethylphenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine is CCc1cccc(OC2CCN(S(=O)(=O)c3ccc(OC)cc3C)CC2)c1.
What is the InChIKey of 4-(3-ethylphenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine?
The InChIKey is HNDSXMUAMPWNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4S/c1-4-17-6-5-7-20(15-17)26-18-10-12-22(13-11-18)27(23,24)21-9-8-19(25-3)14-16(21)2/h5-9,14-15,18H,4,10-13H2,1-3H3.
What are the key properties of 4-(3-ethylphenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine?
4-(3-ethylphenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine has a molecular weight of 389.52 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 110420735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).