5-ethyl-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C20H26N2O5S — CID 3486030

IUPAC5-ethyl-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCC1CN(C2CCN(C(=O)CS(=O)(=O)C=Cc3ccccc3)CC2)C(=O)O1
InChIInChI=1S/C20H26N2O5S/c1-2-18-14-22(20(24)27-18)17-8-11-21(12-9-17)19(23)15-28(25,26)13-10-16-6-4-3-5-7-16/h3-7,10,13,17-18H,2,8-9,11-12,14-15H2,1H3
InChIKeyXLVFMJOXAWMKDK-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.29
Rot. Bonds6

About 5-ethyl-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one

5-ethyl-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3486030) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 5-ethyl-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-ethyl-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3486030
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name5-ethyl-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCCC1CN(C2CCN(C(=O)CS(=O)(=O)C=Cc3ccccc3)CC2)C(=O)O1
InChIInChI=1S/C20H26N2O5S/c1-2-18-14-22(20(24)27-18)17-8-11-21(12-9-17)19(23)15-28(25,26)13-10-16-6-4-3-5-7-16/h3-7,10,13,17-18H,2,8-9,11-12,14-15H2,1H3
InChIKeyXLVFMJOXAWMKDK-UHFFFAOYSA-N
XLogP2.29
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 3534413
4-(2-methylpropyl)-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3708594
5-ethyl-3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3710932
3-[1-(3-chlorothiophene-2-carbonyl)piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one
CID 3314837
5-phenyl-3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3811625
4-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(2,3,4-trifluorophenyl)piperidine-1-carboxamide
CID 5198504
3-[1-[2-(2-bromo-4-hydroxy-5-methoxyphenyl)acetyl]piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one
CID 4513295
3-[1-[2-[(4-tert-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]piperidin-4-yl]-5-ethyl-1,3-oxazolidin-2-one
CID 135511455
1-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-phenylethenylsulfonyl)ethanone
CID 3712587
2-ethoxy-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone
CID 9496780
3-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one
CID 4992737
1-[1-(2-methylsulfonylacetyl)piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
CID 3675018

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-ethyl-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3486030) is 5-ethyl-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-ethyl-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-ethyl-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one is CCC1CN(C2CCN(C(=O)CS(=O)(=O)C=Cc3ccccc3)CC2)C(=O)O1.
What is the InChIKey of 5-ethyl-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is XLVFMJOXAWMKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-2-18-14-22(20(24)27-18)17-8-11-21(12-9-17)19(23)15-28(25,26)13-10-16-6-4-3-5-7-16/h3-7,10,13,17-18H,2,8-9,11-12,14-15H2,1H3.
What are the key properties of 5-ethyl-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
5-ethyl-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 406.50 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3486030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).