ethyl 1-[2-(N-methylsulfonyl-4-phenoxyanilino)propanoyl]piperidine-4-carboxylate

C24H30N2O6S — CID 2928913

IUPACethyl 1-[2-(N-methylsulfonyl-4-phenoxyanilino)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C24H30N2O6S/c1-4-31-24(28)19-14-16-25(17-15-19)23(27)18(2)26(33(3,29)30)20-10-12-22(13-11-20)32-21-8-6-5-7-9-21/h5-13,18-19H,4,14-17H2,1-3H3
InChIKeyHLUVIKAIEKRHKU-UHFFFAOYSA-N
MW474.58 g/mol
LogP3.44
Rot. Bonds8

About ethyl 1-[2-(N-methylsulfonyl-4-phenoxyanilino)propanoyl]piperidine-4-carboxylate

ethyl 1-[2-(N-methylsulfonyl-4-phenoxyanilino)propanoyl]piperidine-4-carboxylate (PubChem CID 2928913) has the molecular formula C24H30N2O6S and a molecular weight of 474.58 g/mol. Its IUPAC name is ethyl 1-[2-(N-methylsulfonyl-4-phenoxyanilino)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(N-methylsulfonyl-4-phenoxyanilino)propanoyl]piperidine-4-carboxylate
PubChem CID2928913
Molecular FormulaC24H30N2O6S
Molecular Weight474.58 g/mol
Exact Mass474.18
IUPAC Nameethyl 1-[2-(N-methylsulfonyl-4-phenoxyanilino)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1
InChIInChI=1S/C24H30N2O6S/c1-4-31-24(28)19-14-16-25(17-15-19)23(27)18(2)26(33(3,29)30)20-10-12-22(13-11-20)32-21-8-6-5-7-9-21/h5-13,18-19H,4,14-17H2,1-3H3
InChIKeyHLUVIKAIEKRHKU-UHFFFAOYSA-N
XLogP3.44
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[2-(N-methylsulfonyl-4-phenoxyanilino)propanoyl]piperidine-4-carboxylate 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

N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide
CID 1077619
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-N-(4-phenoxyphenyl)methanesulfonamide
CID 2929151
ethyl 1-[2-(3,4-dimethyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxylate
CID 2980911
N-[(2R)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide
CID 6964838
N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-N-(4-phenoxyphenyl)methanesulfonamide
CID 1076298
ethyl 1-[2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanoyl]piperidine-4-carboxylate
CID 133265202
ethyl 1-[2-oxo-2-(4-phenoxyanilino)acetyl]piperidine-4-carboxylate
CID 108504159
1-[(2S)-2-(3-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxamide
CID 95119036
4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate
CID 3851418
(2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126032376
1-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide
CID 2928967
N-[(2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]-N-phenylmethanesulfonamide
CID 6576966

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(N-methylsulfonyl-4-phenoxyanilino)propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(N-methylsulfonyl-4-phenoxyanilino)propanoyl]piperidine-4-carboxylate (CID 2928913) is ethyl 1-[2-(N-methylsulfonyl-4-phenoxyanilino)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(N-methylsulfonyl-4-phenoxyanilino)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(N-methylsulfonyl-4-phenoxyanilino)propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1.
What is the InChIKey of ethyl 1-[2-(N-methylsulfonyl-4-phenoxyanilino)propanoyl]piperidine-4-carboxylate?
The InChIKey is HLUVIKAIEKRHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6S/c1-4-31-24(28)19-14-16-25(17-15-19)23(27)18(2)26(33(3,29)30)20-10-12-22(13-11-20)32-21-8-6-5-7-9-21/h5-13,18-19H,4,14-17H2,1-3H3.
What are the key properties of ethyl 1-[2-(N-methylsulfonyl-4-phenoxyanilino)propanoyl]piperidine-4-carboxylate?
ethyl 1-[2-(N-methylsulfonyl-4-phenoxyanilino)propanoyl]piperidine-4-carboxylate has a molecular weight of 474.58 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(N-methylsulfonyl-4-phenoxyanilino)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 2928913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).