methyl 2-[[3-(ethylsulfamoyl)benzoyl]amino]-2-methylpropanoate

C14H20N2O5S — CID 43074354

IUPACmethyl 2-[[3-(ethylsulfamoyl)benzoyl]amino]-2-methylpropanoate
SMILESCCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)C(=O)OC)c1
InChIInChI=1S/C14H20N2O5S/c1-5-15-22(19,20)11-8-6-7-10(9-11)12(17)16-14(2,3)13(18)21-4/h6-9,15H,5H2,1-4H3,(H,16,17)
InChIKeySCSDYARPMJOWIW-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.67
Rot. Bonds6

About methyl 2-[[3-(ethylsulfamoyl)benzoyl]amino]-2-methylpropanoate

methyl 2-[[3-(ethylsulfamoyl)benzoyl]amino]-2-methylpropanoate (PubChem CID 43074354) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is methyl 2-[[3-(ethylsulfamoyl)benzoyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[3-(ethylsulfamoyl)benzoyl]amino]-2-methylpropanoate
PubChem CID43074354
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Namemethyl 2-[[3-(ethylsulfamoyl)benzoyl]amino]-2-methylpropanoate
SMILESCCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)C(=O)OC)c1
InChIInChI=1S/C14H20N2O5S/c1-5-15-22(19,20)11-8-6-7-10(9-11)12(17)16-14(2,3)13(18)21-4/h6-9,15H,5H2,1-4H3,(H,16,17)
InChIKeySCSDYARPMJOWIW-UHFFFAOYSA-N
XLogP0.67
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[3-(ethylsulfamoyl)benzoyl]amino]-2-methylpropanoate 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

N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-3-(ethylsulfamoyl)benzamide
CID 86949396
N-(2,4-dimethylphenyl)-3-(ethylsulfamoyl)benzamide
CID 26538648
N-tert-butyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47127688
N-(benzhydrylideneamino)-3-(ethylsulfamoyl)benzamide
CID 134057652
3-(ethylsulfamoyl)-N-hexylbenzamide
CID 46538065
N-ethyl-3-[(2,4,6-trichloroanilino)carbamoyl]benzenesulfonamide
CID 26591384
N-(2-chlorophenyl)-3-(ethylsulfamoyl)benzamide
CID 26574954
3-(ethylsulfamoyl)-N-(3-iodophenyl)benzamide
CID 31528390
3-(ethylsulfamoyl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 26698365
3-(ethylsulfamoyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 26796668
3-(ethylsulfamoyl)-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 33069732
N-(2-ethoxy-4-methylphenyl)-3-(ethylsulfamoyl)benzamide
CID 87047102

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(ethylsulfamoyl)benzoyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[3-(ethylsulfamoyl)benzoyl]amino]-2-methylpropanoate (CID 43074354) is methyl 2-[[3-(ethylsulfamoyl)benzoyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[3-(ethylsulfamoyl)benzoyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[3-(ethylsulfamoyl)benzoyl]amino]-2-methylpropanoate is CCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)C(=O)OC)c1.
What is the InChIKey of methyl 2-[[3-(ethylsulfamoyl)benzoyl]amino]-2-methylpropanoate?
The InChIKey is SCSDYARPMJOWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-5-15-22(19,20)11-8-6-7-10(9-11)12(17)16-14(2,3)13(18)21-4/h6-9,15H,5H2,1-4H3,(H,16,17).
What are the key properties of methyl 2-[[3-(ethylsulfamoyl)benzoyl]amino]-2-methylpropanoate?
methyl 2-[[3-(ethylsulfamoyl)benzoyl]amino]-2-methylpropanoate has a molecular weight of 328.39 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(ethylsulfamoyl)benzoyl]amino]-2-methylpropanoate is sourced from PubChem (CID 43074354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).