[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate

C21H26N2O6S — CID 18267673

IUPAC[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C21H26N2O6S/c1-5-23(14-16-9-7-6-8-10-16)20(24)15-29-21(25)17-11-12-18(28-4)19(13-17)30(26,27)22(2)3/h6-13H,5,14-15H2,1-4H3
InChIKeyVBBDSJIXAGOADI-UHFFFAOYSA-N
MW434.51 g/mol
LogP2.15
Rot. Bonds9

About [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate

[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate (PubChem CID 18267673) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
PubChem CID18267673
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C21H26N2O6S/c1-5-23(14-16-9-7-6-8-10-16)20(24)15-29-21(25)17-11-12-18(28-4)19(13-17)30(26,27)22(2)3/h6-13H,5,14-15H2,1-4H3
InChIKeyVBBDSJIXAGOADI-UHFFFAOYSA-N
XLogP2.15
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-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(tert-butyl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)-4-methoxybenzoate
CID 16512591
3-(dimethylsulfamoyl)-N-ethyl-4-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 24513203
2-ethoxyethyl 3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoate
CID 24530085
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 18073894
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 55326340
[2-(1-benzofuran-2-yl)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973625
(3-methoxyphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 55331142
[2-oxo-2-(propylamino)ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973353
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 46792473
benzyl 4-methoxy-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722340
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 4565875
[2-(butylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973340

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate (CID 18267673) is [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate is CCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate?
The InChIKey is VBBDSJIXAGOADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-5-23(14-16-9-7-6-8-10-16)20(24)15-29-21(25)17-11-12-18(28-4)19(13-17)30(26,27)22(2)3/h6-13H,5,14-15H2,1-4H3.
What are the key properties of [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate?
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate has a molecular weight of 434.51 g/mol, XLogP of 2.15, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 18267673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).