methyl 2-[1,1-diphenylethyl(methyl)sulfamoyl]acetate

C18H21NO4S — CID 57126924

IUPACmethyl 2-[1,1-diphenylethyl(methyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)N(C)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO4S/c1-18(15-10-6-4-7-11-15,16-12-8-5-9-13-16)19(2)24(21,22)14-17(20)23-3/h4-13H,14H2,1-3H3
InChIKeyLKMQEDZZZQJDJV-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.38
Rot. Bonds6

About methyl 2-[1,1-diphenylethyl(methyl)sulfamoyl]acetate

methyl 2-[1,1-diphenylethyl(methyl)sulfamoyl]acetate (PubChem CID 57126924) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is methyl 2-[1,1-diphenylethyl(methyl)sulfamoyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1,1-diphenylethyl(methyl)sulfamoyl]acetate
PubChem CID57126924
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Namemethyl 2-[1,1-diphenylethyl(methyl)sulfamoyl]acetate
SMILESCOC(=O)CS(=O)(=O)N(C)C(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO4S/c1-18(15-10-6-4-7-11-15,16-12-8-5-9-13-16)19(2)24(21,22)14-17(20)23-3/h4-13H,14H2,1-3H3
InChIKeyLKMQEDZZZQJDJV-UHFFFAOYSA-N
XLogP2.38
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[1,1-diphenylethyl(methyl)sulfamoyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1,1-diphenylethyl(methyl)sulfamoyl]acetate?
The IUPAC name of methyl 2-[1,1-diphenylethyl(methyl)sulfamoyl]acetate (CID 57126924) is methyl 2-[1,1-diphenylethyl(methyl)sulfamoyl]acetate.
What is the SMILES notation for methyl 2-[1,1-diphenylethyl(methyl)sulfamoyl]acetate?
The canonical SMILES for methyl 2-[1,1-diphenylethyl(methyl)sulfamoyl]acetate is COC(=O)CS(=O)(=O)N(C)C(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-[1,1-diphenylethyl(methyl)sulfamoyl]acetate?
The InChIKey is LKMQEDZZZQJDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-18(15-10-6-4-7-11-15,16-12-8-5-9-13-16)19(2)24(21,22)14-17(20)23-3/h4-13H,14H2,1-3H3.
What are the key properties of methyl 2-[1,1-diphenylethyl(methyl)sulfamoyl]acetate?
methyl 2-[1,1-diphenylethyl(methyl)sulfamoyl]acetate has a molecular weight of 347.44 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1,1-diphenylethyl(methyl)sulfamoyl]acetate is sourced from PubChem (CID 57126924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).