ethyl 4-(2-methylpropyl)-1-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperidine-4-carboxylate

C28H33N3O5S — CID 90418893

IUPACethyl 4-(2-methylpropyl)-1-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(CC(C)C)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1
InChIInChI=1S/C28H33N3O5S/c1-4-36-27(33)28(19-20(2)3)14-17-31(18-15-28)26(32)22-10-12-23(13-11-22)30-37(34,35)24-9-5-7-21-8-6-16-29-25(21)24/h5-13,16,20,30H,4,14-15,17-19H2,1-3H3
InChIKeyCZMGWNNTAKLVJV-UHFFFAOYSA-N
MW523.66 g/mol
LogP4.87
Rot. Bonds8

About ethyl 4-(2-methylpropyl)-1-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperidine-4-carboxylate

ethyl 4-(2-methylpropyl)-1-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperidine-4-carboxylate (PubChem CID 90418893) has the molecular formula C28H33N3O5S and a molecular weight of 523.66 g/mol. Its IUPAC name is ethyl 4-(2-methylpropyl)-1-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methylpropyl)-1-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperidine-4-carboxylate
PubChem CID90418893
Molecular FormulaC28H33N3O5S
Molecular Weight523.66 g/mol
Exact Mass523.21
IUPAC Nameethyl 4-(2-methylpropyl)-1-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(CC(C)C)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1
InChIInChI=1S/C28H33N3O5S/c1-4-36-27(33)28(19-20(2)3)14-17-31(18-15-28)26(32)22-10-12-23(13-11-22)30-37(34,35)24-9-5-7-21-8-6-16-29-25(21)24/h5-13,16,20,30H,4,14-15,17-19H2,1-3H3
InChIKeyCZMGWNNTAKLVJV-UHFFFAOYSA-N
XLogP4.87
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.66
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(2-methylpropyl)-1-[4-(quinolin-8-ylsulfonylamino)benzoyl]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

Mitapivat
CID 59634741
N-benzyl-3-[(8-quinolinylsulfonyl)amino]benzamide
CID 993367
2-(4-Fluorophenyl)-2-oxoethyl 1-(quinolin-8-ylsulfonyl)piperidine-4-carboxylate
CID 1045319
N-cyclohexyl-4-[(8-quinolinylsulfonyl)amino]benzamide
CID 1287296
N-[4-(1-piperidinylcarbonyl)phenyl]-8-quinolinesulfonamide
CID 1295703
2-(4-Nitrophenyl)-2-oxoethyl 1-(8-quinolinylsulfonyl)-4-piperidinecarboxylate
CID 1346972
N-{4-[(4-methyl-1-piperidinyl)carbonyl]phenyl}-8-quinolinesulfonamide
CID 2946654
N-(4-methylphenyl)-4-[(8-quinolinylsulfonyl)amino]benzamide
CID 3556203
N-(3-methylbutyl)-6-(4-morpholinylsulfonyl)-2-pyridin-4-yl-4-quinolinecarboxamide
CID 3677232
N-(4-acetylphenyl)-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5307126
N-(3-Methoxypropyl)-6-[(4-methylpiperidin-1-YL)sulfonyl]-2-(pyridin-3-YL)quinoline-4-carboxamide
CID 15996955
6-(Butylsulfamoyl)-N-(3-ethoxypropyl)-2-(pyridin-3-YL)quinoline-4-carboxamide
CID 16034296

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methylpropyl)-1-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 4-(2-methylpropyl)-1-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperidine-4-carboxylate (CID 90418893) is ethyl 4-(2-methylpropyl)-1-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(2-methylpropyl)-1-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(2-methylpropyl)-1-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperidine-4-carboxylate is CCOC(=O)C1(CC(C)C)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1.
What is the InChIKey of ethyl 4-(2-methylpropyl)-1-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperidine-4-carboxylate?
The InChIKey is CZMGWNNTAKLVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O5S/c1-4-36-27(33)28(19-20(2)3)14-17-31(18-15-28)26(32)22-10-12-23(13-11-22)30-37(34,35)24-9-5-7-21-8-6-16-29-25(21)24/h5-13,16,20,30H,4,14-15,17-19H2,1-3H3.
What are the key properties of ethyl 4-(2-methylpropyl)-1-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperidine-4-carboxylate?
ethyl 4-(2-methylpropyl)-1-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperidine-4-carboxylate has a molecular weight of 523.66 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methylpropyl)-1-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 90418893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).