[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone

C19H28N2O5S — CID 3162879

IUPAC[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1C
InChIInChI=1S/C19H28N2O5S/c1-3-26-18-5-4-17(14-15(18)2)27(23,24)21-8-6-16(7-9-21)19(22)20-10-12-25-13-11-20/h4-5,14,16H,3,6-13H2,1-2H3
InChIKeyUUOPMCGUUUJEBN-UHFFFAOYSA-N
MW396.51 g/mol
LogP1.65
Rot. Bonds5

About [1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone

[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 3162879) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is [1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID3162879
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Name[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1C
InChIInChI=1S/C19H28N2O5S/c1-3-26-18-5-4-17(14-15(18)2)27(23,24)21-8-6-16(7-9-21)19(22)20-10-12-25-13-11-20/h4-5,14,16H,3,6-13H2,1-2H3
InChIKeyUUOPMCGUUUJEBN-UHFFFAOYSA-N
XLogP1.65
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-3-carboxylate
CID 4095236
N-Benzyl-N-methyl-4-(2-morpholin-4-yl-2-oxo-ethoxy)-benzenesulfonamide
CID 1008028
4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-N-(2-phenylethyl)benzenesulfonamide
CID 1092325
N-Benzyl-N-methyl-4-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethoxy]-benzenesulfonamide
CID 1092878
1-[2-[4-[Benzyl(methyl)sulfamoyl]phenoxy]acetyl]piperidine-4-carboxamide
CID 1092909
N-benzyl-4-[2-(4-ethyl-1-piperazinyl)-2-oxoethoxy]-N-methylbenzenesulfonamide
CID 1092921
1-(4-Methoxy-3-methyl-benzenesulfonyl)-piperidine-4-carboxylic acid cyclopropylamide
CID 1093382
4-methoxy-N,3-dimethyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1243945
2-({1-[(4-Methoxy-3-methylphenyl)sulfonyl]-4-piperidinyl}carbonyl)-1,2,3,4-tetrahydroisoquinoline
CID 1264393
{1-[(3,4-Dimethoxyphenyl)sulfonyl]piperidin-4-yl}(morpholin-4-yl)methanone
CID 1327421
4-{[2-Methyl-4-(1-pyrrolidinylsulfonyl)phenoxy]acetyl}morpholine
CID 2226440
2-{4-[(isobutylamino)sulfonyl]-2-methylphenoxy}-N-(tetrahydro-2-furanylmethyl)acetamide
CID 2966547

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone (CID 3162879) is [1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone is CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1C.
What is the InChIKey of [1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is UUOPMCGUUUJEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-3-26-18-5-4-17(14-15(18)2)27(23,24)21-8-6-16(7-9-21)19(22)20-10-12-25-13-11-20/h4-5,14,16H,3,6-13H2,1-2H3.
What are the key properties of [1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 396.51 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3162879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).