methyl 3-[benzyl-[2-chloro-5-(methylsulfamoyl)benzoyl]amino]propanoate

C19H21ClN2O5S — CID 55513995

IUPACmethyl 3-[benzyl-[2-chloro-5-(methylsulfamoyl)benzoyl]amino]propanoate
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)N(CCC(=O)OC)Cc2ccccc2)c1
InChIInChI=1S/C19H21ClN2O5S/c1-21-28(25,26)15-8-9-17(20)16(12-15)19(24)22(11-10-18(23)27-2)13-14-6-4-3-5-7-14/h3-9,12,21H,10-11,13H2,1-2H3
InChIKeyFABNNDABTPOZPM-UHFFFAOYSA-N
MW424.91 g/mol
LogP2.45
Rot. Bonds8

About methyl 3-[benzyl-[2-chloro-5-(methylsulfamoyl)benzoyl]amino]propanoate

methyl 3-[benzyl-[2-chloro-5-(methylsulfamoyl)benzoyl]amino]propanoate (PubChem CID 55513995) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is methyl 3-[benzyl-[2-chloro-5-(methylsulfamoyl)benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[benzyl-[2-chloro-5-(methylsulfamoyl)benzoyl]amino]propanoate
PubChem CID55513995
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC Namemethyl 3-[benzyl-[2-chloro-5-(methylsulfamoyl)benzoyl]amino]propanoate
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)N(CCC(=O)OC)Cc2ccccc2)c1
InChIInChI=1S/C19H21ClN2O5S/c1-21-28(25,26)15-8-9-17(20)16(12-15)19(24)22(11-10-18(23)27-2)13-14-6-4-3-5-7-14/h3-9,12,21H,10-11,13H2,1-2H3
InChIKeyFABNNDABTPOZPM-UHFFFAOYSA-N
XLogP2.45
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[benzyl-[2-chloro-5-(methylsulfamoyl)benzoyl]amino]propanoate 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

methyl 3-[benzyl-[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate
CID 55513170
methyl 3-[benzyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 55513252
N-butyl-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide
CID 51166063
N-(1,3-benzodioxol-5-ylmethyl)-2-chloro-N-ethyl-5-(methylsulfamoyl)benzamide
CID 55464922
methyl 3-[benzyl-[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]propanoate
CID 55512838
methyl 3-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]-benzylamino]propanoate
CID 55514492
methyl 3-[benzyl-[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propanoate
CID 55513753
N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide
CID 38196368
2-chloro-5-(methylsulfamoyl)-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55945095
N-benzyl-N-ethyl-3-(methylsulfamoyl)benzamide
CID 100623214
2-chloro-5-(dimethylsulfamoyl)-N,N-bis(2-phenylethyl)benzamide
CID 38071509
methyl 3-[benzyl-(1-methylindole-2-carbonyl)amino]propanoate
CID 55870706

Frequently Asked Questions

What is the IUPAC name of methyl 3-[benzyl-[2-chloro-5-(methylsulfamoyl)benzoyl]amino]propanoate?
The IUPAC name of methyl 3-[benzyl-[2-chloro-5-(methylsulfamoyl)benzoyl]amino]propanoate (CID 55513995) is methyl 3-[benzyl-[2-chloro-5-(methylsulfamoyl)benzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[benzyl-[2-chloro-5-(methylsulfamoyl)benzoyl]amino]propanoate?
The canonical SMILES for methyl 3-[benzyl-[2-chloro-5-(methylsulfamoyl)benzoyl]amino]propanoate is CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(CCC(=O)OC)Cc2ccccc2)c1.
What is the InChIKey of methyl 3-[benzyl-[2-chloro-5-(methylsulfamoyl)benzoyl]amino]propanoate?
The InChIKey is FABNNDABTPOZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c1-21-28(25,26)15-8-9-17(20)16(12-15)19(24)22(11-10-18(23)27-2)13-14-6-4-3-5-7-14/h3-9,12,21H,10-11,13H2,1-2H3.
What are the key properties of methyl 3-[benzyl-[2-chloro-5-(methylsulfamoyl)benzoyl]amino]propanoate?
methyl 3-[benzyl-[2-chloro-5-(methylsulfamoyl)benzoyl]amino]propanoate has a molecular weight of 424.91 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[benzyl-[2-chloro-5-(methylsulfamoyl)benzoyl]amino]propanoate is sourced from PubChem (CID 55513995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).