[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

C21H24ClN3O6S — CID 4223530

IUPAC[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C21H24ClN3O6S/c1-2-30-20-16(7-6-10-23-20)21(27)31-14-19(26)24-18-13-15(8-9-17(18)22)32(28,29)25-11-4-3-5-12-25/h6-10,13H,2-5,11-12,14H2,1H3,(H,24,26)
InChIKeyIYEVPOUECSIKAE-UHFFFAOYSA-N
MW481.96 g/mol
LogP3.10
Rot. Bonds8

About [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 4223530) has the molecular formula C21H24ClN3O6S and a molecular weight of 481.96 g/mol. Its IUPAC name is [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID4223530
Molecular FormulaC21H24ClN3O6S
Molecular Weight481.96 g/mol
Exact Mass481.11
IUPAC Name[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C21H24ClN3O6S/c1-2-30-20-16(7-6-10-23-20)21(27)31-14-19(26)24-18-13-15(8-9-17(18)22)32(28,29)25-11-4-3-5-12-25/h6-10,13H,2-5,11-12,14H2,1H3,(H,24,26)
InChIKeyIYEVPOUECSIKAE-UHFFFAOYSA-N
XLogP3.10
TPSA114.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.96
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 5048414
2-Ethoxy-3-pyridinecarboxylic acid [2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester
CID 3416008
{[2-Methyl-5-(morpholine-4-sulfonyl)phenyl]carbamoyl}methyl 5,6-dichloropyridine-3-carboxylate
CID 3561878
[2-[3-(Dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 3896374
[2-[5-(Diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 4540065
[2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] pyridine-4-carboxylate
CID 4600740
N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-ethoxypyridine-3-carboxamide
CID 4653996
[1-(2-Chloro-5-piperidin-1-ylsulfonylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 5028955
{[2-Chloro-5-(piperidine-1-sulfonyl)phenyl]carbamoyl}methyl 2-chloropyridine-3-carboxylate
CID 5035222
[2-[3-(Azepan-1-ylsulfonyl)anilino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 5213071
2-ethoxy-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 7951679
1-{[4-Methyl-3-(morpholine-4-sulfonyl)phenyl]carbamoyl}ethyl 6-chloropyridine-3-carboxylate
CID 24686186

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (CID 4223530) is [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is IYEVPOUECSIKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O6S/c1-2-30-20-16(7-6-10-23-20)21(27)31-14-19(26)24-18-13-15(8-9-17(18)22)32(28,29)25-11-4-3-5-12-25/h6-10,13H,2-5,11-12,14H2,1H3,(H,24,26).
What are the key properties of [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 481.96 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 4223530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).