ethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]-(2-methoxyethyl)amino]acetate

C18H27ClN2O6S — CID 55726615

IUPACethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C18H27ClN2O6S/c1-6-27-16(22)12-21(9-10-26-5)17(23)13-7-8-14(19)15(11-13)28(24,25)20-18(2,3)4/h7-8,11,20H,6,9-10,12H2,1-5H3
InChIKeySDLOEGCHCNTRSG-UHFFFAOYSA-N
MW434.94 g/mol
LogP2.07
Rot. Bonds9

About ethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]-(2-methoxyethyl)amino]acetate

ethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]-(2-methoxyethyl)amino]acetate (PubChem CID 55726615) has the molecular formula C18H27ClN2O6S and a molecular weight of 434.94 g/mol. Its IUPAC name is ethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]-(2-methoxyethyl)amino]acetate
PubChem CID55726615
Molecular FormulaC18H27ClN2O6S
Molecular Weight434.94 g/mol
Exact Mass434.13
IUPAC Nameethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1
InChIInChI=1S/C18H27ClN2O6S/c1-6-27-16(22)12-21(9-10-26-5)17(23)13-7-8-14(19)15(11-13)28(24,25)20-18(2,3)4/h7-8,11,20H,6,9-10,12H2,1-5H3
InChIKeySDLOEGCHCNTRSG-UHFFFAOYSA-N
XLogP2.07
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.94
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]-(2-methoxyethyl)amino]acetate 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

3-(tert-butylsulfamoyl)-4-chloro-N,N-bis(prop-2-enyl)benzamide
CID 30878670
3-(tert-butylsulfamoyl)-4-chloro-N-propylbenzamide
CID 34827308
ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate
CID 106501591
ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate
CID 103892104
ethyl 2-[(3-chloro-4-iodobenzoyl)-propylamino]acetate
CID 103736240
3-(tert-butylsulfamoyl)-4-chloro-N-(3,4-diethoxyphenyl)benzamide
CID 38207231
3-(tert-butylsulfamoyl)-4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 35425596
3-(tert-butylsulfamoyl)-4-chloro-N-(1-hydroxypropan-2-yl)benzamide
CID 78856600
ethyl 2-[(4-hydroxy-2-methylbenzoyl)-(2-methoxyethyl)amino]acetate
CID 103863690
2-[[3-(diethylsulfamoyl)-4-methylbenzoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189513
ethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate
CID 81228292
methyl 3-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]amino]benzoate
CID 2529890

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]-(2-methoxyethyl)amino]acetate (CID 55726615) is ethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1.
What is the InChIKey of ethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]-(2-methoxyethyl)amino]acetate?
The InChIKey is SDLOEGCHCNTRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O6S/c1-6-27-16(22)12-21(9-10-26-5)17(23)13-7-8-14(19)15(11-13)28(24,25)20-18(2,3)4/h7-8,11,20H,6,9-10,12H2,1-5H3.
What are the key properties of ethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]-(2-methoxyethyl)amino]acetate?
ethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]-(2-methoxyethyl)amino]acetate has a molecular weight of 434.94 g/mol, XLogP of 2.07, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(tert-butylsulfamoyl)-4-chlorobenzoyl]-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 55726615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).