[2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate

C19H22N2O6S — CID 7951667

IUPAC[2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)N(C)C)cc1
InChIInChI=1S/C19H22N2O6S/c1-4-26-14-9-11-15(12-10-14)28(24,25)20-17-8-6-5-7-16(17)19(23)27-13-18(22)21(2)3/h5-12,20H,4,13H2,1-3H3
InChIKeyHOIDRQBRJAPDTM-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.13
Rot. Bonds8

About [2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate

[2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate (PubChem CID 7951667) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
PubChem CID7951667
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
SMILESCCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)N(C)C)cc1
InChIInChI=1S/C19H22N2O6S/c1-4-26-14-9-11-15(12-10-14)28(24,25)20-17-8-6-5-7-16(17)19(23)27-13-18(22)21(2)3/h5-12,20H,4,13H2,1-3H3
InChIKeyHOIDRQBRJAPDTM-UHFFFAOYSA-N
XLogP2.13
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate 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-oxo-2-(2-phenylethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 16527095
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 7371020
[(2S)-3-oxobutan-2-yl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 30044248
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 2550720
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691
[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 43033031
methyl 2-[[2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]acetyl]amino]benzoate
CID 3573663
methyl 3-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzoate
CID 894262
methyl 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]phenyl]sulfonylamino]benzoate
CID 68579485
ethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126143243
2-(4-ethoxyphenoxy)ethyl 2-(methanesulfonamido)benzoate
CID 24530371
(2-oxooxolan-3-yl) 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 25047929

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate (CID 7951667) is [2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate is CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)OCC(=O)N(C)C)cc1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
The InChIKey is HOIDRQBRJAPDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-4-26-14-9-11-15(12-10-14)28(24,25)20-17-8-6-5-7-16(17)19(23)27-13-18(22)21(2)3/h5-12,20H,4,13H2,1-3H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate?
[2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate has a molecular weight of 406.46 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 2-[(4-ethoxyphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 7951667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).