ethyl 4-[[5-[3-[[4-(methylsulfonylcarbamoyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate

C29H33N3O7S — CID 142537209

IUPACethyl 4-[[5-[3-[[4-(methylsulfonylcarbamoyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(COc2ccc(-c3cccc(OCc4ccc(C(=O)NS(C)(=O)=O)cc4)c3)cn2)CC1
InChIInChI=1S/C29H33N3O7S/c1-3-37-29(34)32-15-13-22(14-16-32)20-39-27-12-11-25(18-30-27)24-5-4-6-26(17-24)38-19-21-7-9-23(10-8-21)28(33)31-40(2,35)36/h4-12,17-18,22H,3,13-16,19-20H2,1-2H3,(H,31,33)
InChIKeyFTPLKGFVQJWWEV-UHFFFAOYSA-N
MW567.66 g/mol
LogP4.26
Rot. Bonds10

About ethyl 4-[[5-[3-[[4-(methylsulfonylcarbamoyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate

ethyl 4-[[5-[3-[[4-(methylsulfonylcarbamoyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate (PubChem CID 142537209) has the molecular formula C29H33N3O7S and a molecular weight of 567.66 g/mol. Its IUPAC name is ethyl 4-[[5-[3-[[4-(methylsulfonylcarbamoyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-[3-[[4-(methylsulfonylcarbamoyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate
PubChem CID142537209
Molecular FormulaC29H33N3O7S
Molecular Weight567.66 g/mol
Exact Mass567.20
IUPAC Nameethyl 4-[[5-[3-[[4-(methylsulfonylcarbamoyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(COc2ccc(-c3cccc(OCc4ccc(C(=O)NS(C)(=O)=O)cc4)c3)cn2)CC1
InChIInChI=1S/C29H33N3O7S/c1-3-37-29(34)32-15-13-22(14-16-32)20-39-27-12-11-25(18-30-27)24-5-4-6-26(17-24)38-19-21-7-9-23(10-8-21)28(33)31-40(2,35)36/h4-12,17-18,22H,3,13-16,19-20H2,1-2H3,(H,31,33)
InChIKeyFTPLKGFVQJWWEV-UHFFFAOYSA-N
XLogP4.26
TPSA124.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.66
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[5-[3-[[4-(methylsulfonylcarbamoyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-[3-[[4-(methylsulfonylcarbamoyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-[3-[[4-(methylsulfonylcarbamoyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate (CID 142537209) is ethyl 4-[[5-[3-[[4-(methylsulfonylcarbamoyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-[3-[[4-(methylsulfonylcarbamoyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-[3-[[4-(methylsulfonylcarbamoyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(COc2ccc(-c3cccc(OCc4ccc(C(=O)NS(C)(=O)=O)cc4)c3)cn2)CC1.
What is the InChIKey of ethyl 4-[[5-[3-[[4-(methylsulfonylcarbamoyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The InChIKey is FTPLKGFVQJWWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O7S/c1-3-37-29(34)32-15-13-22(14-16-32)20-39-27-12-11-25(18-30-27)24-5-4-6-26(17-24)38-19-21-7-9-23(10-8-21)28(33)31-40(2,35)36/h4-12,17-18,22H,3,13-16,19-20H2,1-2H3,(H,31,33).
What are the key properties of ethyl 4-[[5-[3-[[4-(methylsulfonylcarbamoyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate?
ethyl 4-[[5-[3-[[4-(methylsulfonylcarbamoyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate has a molecular weight of 567.66 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-[3-[[4-(methylsulfonylcarbamoyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 142537209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).