[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate

C19H27N3O6S — CID 2405135

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H27N3O6S/c1-19(2,3)21-18(25)20-16(23)13-28-17(24)14-8-7-9-15(12-14)29(26,27)22-10-5-4-6-11-22/h7-9,12H,4-6,10-11,13H2,1-3H3,(H2,20,21,23,25)
InChIKeyUKDHZXYDKCJRTA-UHFFFAOYSA-N
MW425.51 g/mol
LogP1.64
Rot. Bonds5

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate (PubChem CID 2405135) has the molecular formula C19H27N3O6S and a molecular weight of 425.51 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
PubChem CID2405135
Molecular FormulaC19H27N3O6S
Molecular Weight425.51 g/mol
Exact Mass425.16
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H27N3O6S/c1-19(2,3)21-18(25)20-16(23)13-28-17(24)14-8-7-9-15(12-14)29(26,27)22-10-5-4-6-11-22/h7-9,12H,4-6,10-11,13H2,1-3H3,(H2,20,21,23,25)
InChIKeyUKDHZXYDKCJRTA-UHFFFAOYSA-N
XLogP1.64
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate 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-(Cyclopentylamino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2095647
[2-(Cyclopentylamino)-2-oxoethyl] 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2097778
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2346486
[2-(Benzylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 2363961
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 3566939
[2-(Cyclopropylamino)-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 3896394
[2-[2-(4-Fluorophenyl)ethylamino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 4845870
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 5094837
[2-(4-Amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 2355601
[2-(Benzylamino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2357803
[2-Oxo-2-(propan-2-ylamino)ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2363938
[2-Oxo-2-(propan-2-ylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 2417632

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate (CID 2405135) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate is CC(C)(C)NC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate?
The InChIKey is UKDHZXYDKCJRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O6S/c1-19(2,3)21-18(25)20-16(23)13-28-17(24)14-8-7-9-15(12-14)29(26,27)22-10-5-4-6-11-22/h7-9,12H,4-6,10-11,13H2,1-3H3,(H2,20,21,23,25).
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate has a molecular weight of 425.51 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 2405135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).