ethyl 1-[4-[(4-ethoxyphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate

C23H28N2O6S — CID 2349132

IUPACethyl 1-[4-[(4-ethoxyphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)CC1
InChIInChI=1S/C23H28N2O6S/c1-3-30-20-9-11-21(12-10-20)32(28,29)24-19-7-5-17(6-8-19)22(26)25-15-13-18(14-16-25)23(27)31-4-2/h5-12,18,24H,3-4,13-16H2,1-2H3
InChIKeyUAMXWMWZWBYNOY-UHFFFAOYSA-N
MW460.55 g/mol
LogP3.30
Rot. Bonds8

About ethyl 1-[4-[(4-ethoxyphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate

ethyl 1-[4-[(4-ethoxyphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate (PubChem CID 2349132) has the molecular formula C23H28N2O6S and a molecular weight of 460.55 g/mol. Its IUPAC name is ethyl 1-[4-[(4-ethoxyphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[(4-ethoxyphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate
PubChem CID2349132
Molecular FormulaC23H28N2O6S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC Nameethyl 1-[4-[(4-ethoxyphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)CC1
InChIInChI=1S/C23H28N2O6S/c1-3-30-20-9-11-21(12-10-20)32(28,29)24-19-7-5-17(6-8-19)22(26)25-15-13-18(14-16-25)23(27)31-4-2/h5-12,18,24H,3-4,13-16H2,1-2H3
InChIKeyUAMXWMWZWBYNOY-UHFFFAOYSA-N
XLogP3.30
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azepane-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 4789238
4-methoxy-N-(2-methylphenyl)-3-(4-morpholinylcarbonyl)benzenesulfonamide
CID 1250571
4-(dimethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 1277944
4-(dipropylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 2917766
4-(diethylsulfamoyl)-N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 2926629
N-[4-[[4-(3-cyanobenzoyl)piperazin-1-yl]methyl]phenyl]-4-methoxybenzenesulfonamide
CID 91800749
N-[4-[4-(2-hydroxy-3-phenoxypropyl)piperazine-1-carbonyl]phenyl]methanesulfonamide
CID 14739886
4-(4-(3-(4-(dimethylamino)benzamido)propoxy)phenylsulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide
CID 20620757
[4-[[2-(2-Hydroxyethylcarbamoyl)phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
CID 118727259
4-Ethoxy-N-[2-(morpholine-4-carbonyl)-phenyl]-benzenesulfonamide
CID 1090677
N-(2-Ethoxy-phenyl)-4-(morpholine-4-sulfonyl)-benzamide
CID 650265
N-[3-(1-azepanylcarbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 984910

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[(4-ethoxyphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-[(4-ethoxyphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate (CID 2349132) is ethyl 1-[4-[(4-ethoxyphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-[(4-ethoxyphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-[(4-ethoxyphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)CC1.
What is the InChIKey of ethyl 1-[4-[(4-ethoxyphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate?
The InChIKey is UAMXWMWZWBYNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6S/c1-3-30-20-9-11-21(12-10-20)32(28,29)24-19-7-5-17(6-8-19)22(26)25-15-13-18(14-16-25)23(27)31-4-2/h5-12,18,24H,3-4,13-16H2,1-2H3.
What are the key properties of ethyl 1-[4-[(4-ethoxyphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate?
ethyl 1-[4-[(4-ethoxyphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate has a molecular weight of 460.55 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[(4-ethoxyphenyl)sulfonylamino]benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 2349132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).