methyl 2-[[3-(phenylsulfamoyl)benzoyl]amino]acetate

C16H16N2O5S — CID 163355301

IUPACmethyl 2-[[3-(phenylsulfamoyl)benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H16N2O5S/c1-23-15(19)11-17-16(20)12-6-5-9-14(10-12)24(21,22)18-13-7-3-2-4-8-13/h2-10,18H,11H2,1H3,(H,17,20)
InChIKeyOQKOFGNVIWTWQQ-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.39
Rot. Bonds6

About methyl 2-[[3-(phenylsulfamoyl)benzoyl]amino]acetate

methyl 2-[[3-(phenylsulfamoyl)benzoyl]amino]acetate (PubChem CID 163355301) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is methyl 2-[[3-(phenylsulfamoyl)benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-(phenylsulfamoyl)benzoyl]amino]acetate
PubChem CID163355301
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Namemethyl 2-[[3-(phenylsulfamoyl)benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H16N2O5S/c1-23-15(19)11-17-16(20)12-6-5-9-14(10-12)24(21,22)18-13-7-3-2-4-8-13/h2-10,18H,11H2,1H3,(H,17,20)
InChIKeyOQKOFGNVIWTWQQ-UHFFFAOYSA-N
XLogP1.39
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[3-(phenylsulfamoyl)benzoyl]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

N-(2-methoxyethyl)-3-(phenylsulfamoyl)benzamide
CID 19257386
methyl 2-[[3-(2-hydroxyethylamino)-5-(phenylsulfamoyl)benzoyl]amino]acetate
CID 26225543
N-(2-anilino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 55958800
N-(2-benzamidoethyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 38202600
3-(benzenesulfonamido)-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 18137070
3-(benzenesulfonamido)-N-[2-(dimethylamino)-2-oxoethyl]benzamide
CID 9305703
methyl 4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]butanoate
CID 18109757
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 18108709
ethyl 3-(phenylsulfamoyl)benzoate
CID 100552593
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
3-(phenylsulfamoyl)benzoyl chloride
CID 22137852
3-[(4-chlorophenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9299728

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-(phenylsulfamoyl)benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[3-(phenylsulfamoyl)benzoyl]amino]acetate (CID 163355301) is methyl 2-[[3-(phenylsulfamoyl)benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-(phenylsulfamoyl)benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-(phenylsulfamoyl)benzoyl]amino]acetate is COC(=O)CNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of methyl 2-[[3-(phenylsulfamoyl)benzoyl]amino]acetate?
The InChIKey is OQKOFGNVIWTWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-23-15(19)11-17-16(20)12-6-5-9-14(10-12)24(21,22)18-13-7-3-2-4-8-13/h2-10,18H,11H2,1H3,(H,17,20).
What are the key properties of methyl 2-[[3-(phenylsulfamoyl)benzoyl]amino]acetate?
methyl 2-[[3-(phenylsulfamoyl)benzoyl]amino]acetate has a molecular weight of 348.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-(phenylsulfamoyl)benzoyl]amino]acetate is sourced from PubChem (CID 163355301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).