[2-(2,6-dichloroanilino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate

C24H27Cl2N3O6S — CID 4211153

IUPAC[2-(2,6-dichloroanilino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
SMILESO=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C24H27Cl2N3O6S/c25-19-5-4-6-20(26)23(19)27-22(30)16-35-24(31)18-15-17(36(32,33)29-11-13-34-14-12-29)7-8-21(18)28-9-2-1-3-10-28/h4-8,15H,1-3,9-14,16H2,(H,27,30)
InChIKeyVWHMMPNHWCJHPP-UHFFFAOYSA-N
MW556.47 g/mol
LogP3.80
Rot. Bonds7

About [2-(2,6-dichloroanilino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate

[2-(2,6-dichloroanilino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate (PubChem CID 4211153) has the molecular formula C24H27Cl2N3O6S and a molecular weight of 556.47 g/mol. Its IUPAC name is [2-(2,6-dichloroanilino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
PubChem CID4211153
Molecular FormulaC24H27Cl2N3O6S
Molecular Weight556.47 g/mol
Exact Mass555.10
IUPAC Name[2-(2,6-dichloroanilino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
SMILESO=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C24H27Cl2N3O6S/c25-19-5-4-6-20(26)23(19)27-22(30)16-35-24(31)18-15-17(36(32,33)29-11-13-34-14-12-29)7-8-21(18)28-9-2-1-3-10-28/h4-8,15H,1-3,9-14,16H2,(H,27,30)
InChIKeyVWHMMPNHWCJHPP-UHFFFAOYSA-N
XLogP3.80
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.47
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(2,6-dichloroanilino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate with MolForge

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Related Compounds

[2-(3-methylsulfanylanilino)-2-oxoethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 16543806
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 16542152
cyanomethyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 29201099
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 55325716
[2-(2,6-dichloroanilino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 4803223
[2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-phenoxybenzoate
CID 5216601
[2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 4666759
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 41124338
phenyl 5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzoate
CID 8765391
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 16521191
benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 24687259
N-(3-chloro-2-fluorophenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide
CID 43000218

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate?
The IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate (CID 4211153) is [2-(2,6-dichloroanilino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate.
What is the SMILES notation for [2-(2,6-dichloroanilino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate?
The canonical SMILES for [2-(2,6-dichloroanilino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate is O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of [2-(2,6-dichloroanilino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate?
The InChIKey is VWHMMPNHWCJHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N3O6S/c25-19-5-4-6-20(26)23(19)27-22(30)16-35-24(31)18-15-17(36(32,33)29-11-13-34-14-12-29)7-8-21(18)28-9-2-1-3-10-28/h4-8,15H,1-3,9-14,16H2,(H,27,30).
What are the key properties of [2-(2,6-dichloroanilino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate?
[2-(2,6-dichloroanilino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate has a molecular weight of 556.47 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloroanilino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate is sourced from PubChem (CID 4211153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).