[2-(N-ethylanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate

C23H28N2O5S — CID 2568523

IUPAC[2-(N-ethylanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
SMILESCCN(C(=O)COC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C23H28N2O5S/c1-3-25(20-10-6-4-7-11-20)22(26)17-30-23(27)19-13-12-18(2)21(16-19)31(28,29)24-14-8-5-9-15-24/h4,6-7,10-13,16H,3,5,8-9,14-15,17H2,1-2H3
InChIKeyNBWHTFWZOOTIBF-UHFFFAOYSA-N
MW444.55 g/mol
LogP3.38
Rot. Bonds7

About [2-(N-ethylanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate

[2-(N-ethylanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate (PubChem CID 2568523) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is [2-(N-ethylanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(N-ethylanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
PubChem CID2568523
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC Name[2-(N-ethylanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
SMILESCCN(C(=O)COC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1
InChIInChI=1S/C23H28N2O5S/c1-3-25(20-10-6-4-7-11-20)22(26)17-30-23(27)19-13-12-18(2)21(16-19)31(28,29)24-14-8-5-9-15-24/h4,6-7,10-13,16H,3,5,8-9,14-15,17H2,1-2H3
InChIKeyNBWHTFWZOOTIBF-UHFFFAOYSA-N
XLogP3.38
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(N-ethylanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate with MolForge

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Related Compounds

[2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate
CID 55305657
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate
CID 16509293
(2-oxo-2-propan-2-yloxyethyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 46638412
phenyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2668435
[2-(N-ethylanilino)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 55320780
[2-(N-ethylanilino)-2-oxoethyl] naphthalene-2-carboxylate
CID 2507754
[2-(diethylamino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-methoxybenzoate
CID 16509189
2-(4-ethoxyphenoxy)ethyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 4316731
[2-(2-methoxyethylamino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 7824861
N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 18169006
[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate
CID 2545199
[2-(4-iodoanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2348151

Frequently Asked Questions

What is the IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of [2-(N-ethylanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate (CID 2568523) is [2-(N-ethylanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [2-(N-ethylanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for [2-(N-ethylanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate is CCN(C(=O)COC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1.
What is the InChIKey of [2-(N-ethylanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate?
The InChIKey is NBWHTFWZOOTIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S/c1-3-25(20-10-6-4-7-11-20)22(26)17-30-23(27)19-13-12-18(2)21(16-19)31(28,29)24-14-8-5-9-15-24/h4,6-7,10-13,16H,3,5,8-9,14-15,17H2,1-2H3.
What are the key properties of [2-(N-ethylanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate?
[2-(N-ethylanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate has a molecular weight of 444.55 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-ethylanilino)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 2568523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).