[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate

C20H21Cl2N3O5S — CID 41036130

IUPAC[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate
SMILESCc1c(Cl)cnc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1Cl
InChIInChI=1S/C20H21Cl2N3O5S/c1-13-16(21)11-23-19(18(13)22)24-17(26)12-30-20(27)14-7-9-25(10-8-14)31(28,29)15-5-3-2-4-6-15/h2-6,11,14H,7-10,12H2,1H3,(H,23,24,26)
InChIKeyPRLZFOGCGAHIQB-UHFFFAOYSA-N
MW486.38 g/mol
LogP3.28
Rot. Bonds6

About [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate

[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate (PubChem CID 41036130) has the molecular formula C20H21Cl2N3O5S and a molecular weight of 486.38 g/mol. Its IUPAC name is [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate
PubChem CID41036130
Molecular FormulaC20H21Cl2N3O5S
Molecular Weight486.38 g/mol
Exact Mass485.06
IUPAC Name[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate
SMILESCc1c(Cl)cnc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1Cl
InChIInChI=1S/C20H21Cl2N3O5S/c1-13-16(21)11-23-19(18(13)22)24-17(26)12-30-20(27)14-7-9-25(10-8-14)31(28,29)15-5-3-2-4-6-15/h2-6,11,14H,7-10,12H2,1H3,(H,23,24,26)
InChIKeyPRLZFOGCGAHIQB-UHFFFAOYSA-N
XLogP3.28
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 1-(benzenesulfonyl)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

[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 2484340
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2112493
[2-(carbamoylamino)-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 18285375
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 41036184
[2-oxo-2-(2-phenylethylamino)ethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 18208902
[2-(2-acetylanilino)-2-oxoethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 41150970
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 4-(phenylsulfamoyl)benzoate
CID 33496459
2-(2,6-dichlorophenoxy)ethyl 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 30511430
[2-(3-fluoroanilino)-2-oxoethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 41150889
ethyl 1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxylate
CID 822460
prop-2-ynyl 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 51173015
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate
CID 55641059

Frequently Asked Questions

What is the IUPAC name of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate?
The IUPAC name of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate (CID 41036130) is [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate?
The canonical SMILES for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate is Cc1c(Cl)cnc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1Cl.
What is the InChIKey of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate?
The InChIKey is PRLZFOGCGAHIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O5S/c1-13-16(21)11-23-19(18(13)22)24-17(26)12-30-20(27)14-7-9-25(10-8-14)31(28,29)15-5-3-2-4-6-15/h2-6,11,14H,7-10,12H2,1H3,(H,23,24,26).
What are the key properties of [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate?
[2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate has a molecular weight of 486.38 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3,5-dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-4-carboxylate is sourced from PubChem (CID 41036130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).