5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide

C18H17FN2O4S — CID 9080530

IUPAC5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)oc2ccc(F)cc12
InChIInChI=1S/C18H17FN2O4S/c1-11-15-10-13(19)4-7-16(15)25-17(11)18(22)21-9-8-12-2-5-14(6-3-12)26(20,23)24/h2-7,10H,8-9H2,1H3,(H,21,22)(H2,20,23,24)
InChIKeyBTFHJAQQVOCVEW-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.50
Rot. Bonds5

About 5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide

5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 9080530) has the molecular formula C18H17FN2O4S and a molecular weight of 376.41 g/mol. Its IUPAC name is 5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID9080530
Molecular FormulaC18H17FN2O4S
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC Name5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)oc2ccc(F)cc12
InChIInChI=1S/C18H17FN2O4S/c1-11-15-10-13(19)4-7-16(15)25-17(11)18(22)21-9-8-12-2-5-14(6-3-12)26(20,23)24/h2-7,10H,8-9H2,1H3,(H,21,22)(H2,20,23,24)
InChIKeyBTFHJAQQVOCVEW-UHFFFAOYSA-N
XLogP2.50
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide 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

5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 9080704
6-fluoro-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
CID 108789667
N-[2-(cyclohexen-1-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 27666383
5-(dibutylsulfamoyl)-3-methyl-N-(2-phenylethyl)-1-benzofuran-2-carboxamide
CID 20967856
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid
CID 60708400
N-ethoxy-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 18169026
ethyl 2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 47257353
2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242438
2-[2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid
CID 79468905
5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79675667
N-[2-(3-bromo-4-fluorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 55897249
5-fluoro-3-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1-benzofuran-2-carboxamide
CID 35343167

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide (CID 9080530) is 5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)oc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is BTFHJAQQVOCVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4S/c1-11-15-10-13(19)4-7-16(15)25-17(11)18(22)21-9-8-12-2-5-14(6-3-12)26(20,23)24/h2-7,10H,8-9H2,1H3,(H,21,22)(H2,20,23,24).
What are the key properties of 5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide?
5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9080530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).