ethyl 4-[[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]benzoate

C23H29N3O6S — CID 24614979

IUPACethyl 4-[[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1
InChIInChI=1S/C23H29N3O6S/c1-3-32-23(28)17-7-9-18(10-8-17)24-16-22(27)25-20-15-19(11-12-21(20)31-2)33(29,30)26-13-5-4-6-14-26/h7-12,15,24H,3-6,13-14,16H2,1-2H3,(H,25,27)
InChIKeyXVIIEOXZBGRMQN-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.10
Rot. Bonds9

About ethyl 4-[[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]benzoate

ethyl 4-[[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]benzoate (PubChem CID 24614979) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is ethyl 4-[[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]benzoate
PubChem CID24614979
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC Nameethyl 4-[[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1
InChIInChI=1S/C23H29N3O6S/c1-3-32-23(28)17-7-9-18(10-8-17)24-16-22(27)25-20-15-19(11-12-21(20)31-2)33(29,30)26-13-5-4-6-14-26/h7-12,15,24H,3-6,13-14,16H2,1-2H3,(H,25,27)
InChIKeyXVIIEOXZBGRMQN-UHFFFAOYSA-N
XLogP3.10
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]benzoate with MolForge

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Related Compounds

2-(4-fluoroanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9098686
N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083617
N-(2-methoxyphenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083951
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 4856785
N-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083438
[2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl] propanoate
CID 9015169
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 2557205
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
CID 8894862
ethyl 4-piperidin-1-ylsulfonylbenzoate
CID 1077892
2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 26440019
[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 16522329

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]benzoate?
The IUPAC name of ethyl 4-[[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]benzoate (CID 24614979) is ethyl 4-[[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]benzoate is CCOC(=O)c1ccc(NCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1.
What is the InChIKey of ethyl 4-[[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]benzoate?
The InChIKey is XVIIEOXZBGRMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-3-32-23(28)17-7-9-18(10-8-17)24-16-22(27)25-20-15-19(11-12-21(20)31-2)33(29,30)26-13-5-4-6-14-26/h7-12,15,24H,3-6,13-14,16H2,1-2H3,(H,25,27).
What are the key properties of ethyl 4-[[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]benzoate?
ethyl 4-[[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]benzoate has a molecular weight of 475.57 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 24614979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).