[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate

C25H34N2O6S — CID 16512591

IUPAC[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)ccc1OC
InChIInChI=1S/C25H34N2O6S/c1-7-26(8-2)34(30,31)22-16-20(14-15-21(22)32-6)24(29)33-18-23(28)27(25(3,4)5)17-19-12-10-9-11-13-19/h9-16H,7-8,17-18H2,1-6H3
InChIKeyOZYBGAYOPAVILT-UHFFFAOYSA-N
MW490.62 g/mol
LogP3.71
Rot. Bonds10

About [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate

[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate (PubChem CID 16512591) has the molecular formula C25H34N2O6S and a molecular weight of 490.62 g/mol. Its IUPAC name is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
PubChem CID16512591
Molecular FormulaC25H34N2O6S
Molecular Weight490.62 g/mol
Exact Mass490.21
IUPAC Name[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)ccc1OC
InChIInChI=1S/C25H34N2O6S/c1-7-26(8-2)34(30,31)22-16-20(14-15-21(22)32-6)24(29)33-18-23(28)27(25(3,4)5)17-19-12-10-9-11-13-19/h9-16H,7-8,17-18H2,1-6H3
InChIKeyOZYBGAYOPAVILT-UHFFFAOYSA-N
XLogP3.71
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.62
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate 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-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 18267673
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 41072188
N-benzyl-N-ethyl-5-[[(4-ethylbenzoyl)amino]carbamoyl]-2-methoxybenzenesulfonamide
CID 4789084
[2-(4-ethoxyphenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 31197087
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 16512574
2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 24530085
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-hydroxy-4-methylbenzoate
CID 46660738
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 16512585
(2-chlorophenyl)methyl 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 42070012
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3,5-dinitrobenzoate
CID 53317265
benzyl 4-methoxy-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722340
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate
CID 3951592

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate (CID 16512591) is [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate is CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)ccc1OC.
What is the InChIKey of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate?
The InChIKey is OZYBGAYOPAVILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O6S/c1-7-26(8-2)34(30,31)22-16-20(14-15-21(22)32-6)24(29)33-18-23(28)27(25(3,4)5)17-19-12-10-9-11-13-19/h9-16H,7-8,17-18H2,1-6H3.
What are the key properties of [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate?
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate has a molecular weight of 490.62 g/mol, XLogP of 3.71, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 16512591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).