ethyl 1-[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]piperidine-4-carboxylate

C24H30N2O5S — CID 23769142

IUPACethyl 1-[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C24H30N2O5S/c1-3-19-10-12-21(13-11-19)26(32(29,30)22-8-6-5-7-9-22)18-23(27)25-16-14-20(15-17-25)24(28)31-4-2/h5-13,20H,3-4,14-18H2,1-2H3
InChIKeyIGRRRFCHYLJPAF-UHFFFAOYSA-N
MW458.58 g/mol
LogP3.25
Rot. Bonds8

About ethyl 1-[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]piperidine-4-carboxylate (PubChem CID 23769142) has the molecular formula C24H30N2O5S and a molecular weight of 458.58 g/mol. Its IUPAC name is ethyl 1-[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]piperidine-4-carboxylate
PubChem CID23769142
Molecular FormulaC24H30N2O5S
Molecular Weight458.58 g/mol
Exact Mass458.19
IUPAC Nameethyl 1-[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C24H30N2O5S/c1-3-19-10-12-21(13-11-19)26(32(29,30)22-8-6-5-7-9-22)18-23(27)25-16-14-20(15-17-25)24(28)31-4-2/h5-13,20H,3-4,14-18H2,1-2H3
InChIKeyIGRRRFCHYLJPAF-UHFFFAOYSA-N
XLogP3.25
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]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

ethyl 1-[2-[N-(dimethylsulfamoyl)anilino]acetyl]piperidine-4-carboxylate
CID 6456631
ethyl 1-[2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076440
ethyl 1-[2-[N-(benzenesulfonyl)-2,5-dichloroanilino]acetyl]piperidine-4-carboxylate
CID 2973500
ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate
CID 99705064
N-(4-methylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 1000741
ethyl 1-[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 30267747
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 1000027
1-[2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide
CID 2976213
ethyl 1-[4-[benzenesulfonyl(methyl)amino]benzoyl]piperidine-4-carboxylate
CID 23761964
1-[2-[N-(benzenesulfonyl)-4-nitroanilino]acetyl]piperidine-4-carboxamide
CID 2930245
ethyl 1-[2-(2-ethoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076442
ethyl 1-[2-(2-methoxy-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate
CID 1076344

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]piperidine-4-carboxylate (CID 23769142) is ethyl 1-[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CN(c2ccc(CC)cc2)S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of ethyl 1-[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]piperidine-4-carboxylate?
The InChIKey is IGRRRFCHYLJPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5S/c1-3-19-10-12-21(13-11-19)26(32(29,30)22-8-6-5-7-9-22)18-23(27)25-16-14-20(15-17-25)24(28)31-4-2/h5-13,20H,3-4,14-18H2,1-2H3.
What are the key properties of ethyl 1-[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]piperidine-4-carboxylate has a molecular weight of 458.58 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 23769142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).