methyl 3-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]benzoate

C19H19NO5S — CID 134002955

IUPACmethyl 3-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N(C)C(C)c2cc3ccccc3o2)c1
InChIInChI=1S/C19H19NO5S/c1-13(18-12-14-7-4-5-10-17(14)25-18)20(2)26(22,23)16-9-6-8-15(11-16)19(21)24-3/h4-13H,1-3H3
InChIKeyPFZFCRSGDNFGFN-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.60
Rot. Bonds5

About methyl 3-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]benzoate

methyl 3-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]benzoate (PubChem CID 134002955) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is methyl 3-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]benzoate
PubChem CID134002955
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Namemethyl 3-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)N(C)C(C)c2cc3ccccc3o2)c1
InChIInChI=1S/C19H19NO5S/c1-13(18-12-14-7-4-5-10-17(14)25-18)20(2)26(22,23)16-9-6-8-15(11-16)19(21)24-3/h4-13H,1-3H3
InChIKeyPFZFCRSGDNFGFN-UHFFFAOYSA-N
XLogP3.60
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]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

N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 42947496
methyl 3-[methyl-[(1S)-1-thiophen-2-ylethyl]sulfamoyl]benzoate
CID 31769683
methyl 3-[1-(4-fluorophenyl)ethyl-methylsulfamoyl]benzoate
CID 51335257
N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoro-N,4-dimethylbenzenesulfonamide
CID 46452657
(4-methoxycarbonylphenyl) 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 8961302
methyl 3-[2-hydroxypropyl(methyl)sulfamoyl]benzoate
CID 62334814
N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
CID 115588204
2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 30547919
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-nitrobenzenesulfonamide
CID 25488118
3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 43021359

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]benzoate?
The IUPAC name of methyl 3-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]benzoate (CID 134002955) is methyl 3-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]benzoate.
What is the SMILES notation for methyl 3-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]benzoate?
The canonical SMILES for methyl 3-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]benzoate is COC(=O)c1cccc(S(=O)(=O)N(C)C(C)c2cc3ccccc3o2)c1.
What is the InChIKey of methyl 3-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]benzoate?
The InChIKey is PFZFCRSGDNFGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-13(18-12-14-7-4-5-10-17(14)25-18)20(2)26(22,23)16-9-6-8-15(11-16)19(21)24-3/h4-13H,1-3H3.
What are the key properties of methyl 3-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]benzoate?
methyl 3-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]benzoate has a molecular weight of 373.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]benzoate is sourced from PubChem (CID 134002955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).