methyl 2-[[2-[methylsulfonyl(2-phenylethyl)amino]acetyl]amino]benzoate

C19H22N2O5S — CID 2203052

IUPACmethyl 2-[[2-[methylsulfonyl(2-phenylethyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN(CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H22N2O5S/c1-26-19(23)16-10-6-7-11-17(16)20-18(22)14-21(27(2,24)25)13-12-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,20,22)
InChIKeyIHIQYGVSTMRSCP-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.92
Rot. Bonds8

About methyl 2-[[2-[methylsulfonyl(2-phenylethyl)amino]acetyl]amino]benzoate

methyl 2-[[2-[methylsulfonyl(2-phenylethyl)amino]acetyl]amino]benzoate (PubChem CID 2203052) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is methyl 2-[[2-[methylsulfonyl(2-phenylethyl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[methylsulfonyl(2-phenylethyl)amino]acetyl]amino]benzoate
PubChem CID2203052
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Namemethyl 2-[[2-[methylsulfonyl(2-phenylethyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN(CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H22N2O5S/c1-26-19(23)16-10-6-7-11-17(16)20-18(22)14-21(27(2,24)25)13-12-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,20,22)
InChIKeyIHIQYGVSTMRSCP-UHFFFAOYSA-N
XLogP1.92
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[methylsulfonyl(2-phenylethyl)amino]acetyl]amino]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

Tolycaine
CID 72137
Methyl 2-(3-phenylpropanoylamino)benzoate
CID 903133
N-(o-Carboxyphenyl)-2-oxo-1-phenyl-4-pyrrolidinecarboxamide
CID 217791
Methyl 2-benzamidobenzoate
CID 347181
Methyl 2-{[(1-cyclohexyl-5-oxo-3-pyrrolidinyl)carbonyl]amino}benzoate
CID 2856288
Methyl 4-({[1-(methylsulfonyl)piperidin-3-yl]carbonyl}amino)benzoate
CID 4234809
Methyl 2-(4-acetamidobenzenesulfonamido)benzoate
CID 726578
Methyl 2-(methyl(methylsulfonyl)amino)benzoate
CID 720628
Methyl 2-{[3-(isobutyrylamino)benzoyl]amino}benzoate
CID 890938
Ethyl 2-((2-((methylsulphonyl)amino)benzoyl)amino)benzoate
CID 1266830
Dimethyl 2,2'-(malonylbis(azanediyl))dibenzoate
CID 1878977
Methyl 5-[1-[(4-tert-butylphenyl)methylamino]-1-oxopropan-2-yl]-2-(methanesulfonamido)benzoate
CID 11419466

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[methylsulfonyl(2-phenylethyl)amino]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[methylsulfonyl(2-phenylethyl)amino]acetyl]amino]benzoate (CID 2203052) is methyl 2-[[2-[methylsulfonyl(2-phenylethyl)amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[methylsulfonyl(2-phenylethyl)amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[methylsulfonyl(2-phenylethyl)amino]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CN(CCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of methyl 2-[[2-[methylsulfonyl(2-phenylethyl)amino]acetyl]amino]benzoate?
The InChIKey is IHIQYGVSTMRSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-26-19(23)16-10-6-7-11-17(16)20-18(22)14-21(27(2,24)25)13-12-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3,(H,20,22).
What are the key properties of methyl 2-[[2-[methylsulfonyl(2-phenylethyl)amino]acetyl]amino]benzoate?
methyl 2-[[2-[methylsulfonyl(2-phenylethyl)amino]acetyl]amino]benzoate has a molecular weight of 390.46 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[methylsulfonyl(2-phenylethyl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 2203052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).