4-fluoro-3-(methoxymethyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide

C19H19FN2O4S2 — CID 26644526

IUPAC4-fluoro-3-(methoxymethyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)sc2cccc(F)c12
InChIInChI=1S/C19H19FN2O4S2/c1-26-11-14-17-15(20)3-2-4-16(17)27-18(14)19(23)22-10-9-12-5-7-13(8-6-12)28(21,24)25/h2-8H,9-11H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyLVAPCJYUSXCQBK-UHFFFAOYSA-N
MW422.50 g/mol
LogP2.81
Rot. Bonds7

About 4-fluoro-3-(methoxymethyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide

4-fluoro-3-(methoxymethyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide (PubChem CID 26644526) has the molecular formula C19H19FN2O4S2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 4-fluoro-3-(methoxymethyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-3-(methoxymethyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
PubChem CID26644526
Molecular FormulaC19H19FN2O4S2
Molecular Weight422.50 g/mol
Exact Mass422.08
IUPAC Name4-fluoro-3-(methoxymethyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide
SMILESCOCc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)sc2cccc(F)c12
InChIInChI=1S/C19H19FN2O4S2/c1-26-11-14-17-15(20)3-2-4-16(17)27-18(14)19(23)22-10-9-12-5-7-13(8-6-12)28(21,24)25/h2-8H,9-11H2,1H3,(H,22,23)(H2,21,24,25)
InChIKeyLVAPCJYUSXCQBK-UHFFFAOYSA-N
XLogP2.81
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methoxymethyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-3-(methoxymethyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide (CID 26644526) is 4-fluoro-3-(methoxymethyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-3-(methoxymethyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-3-(methoxymethyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide is COCc1c(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-3-(methoxymethyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
The InChIKey is LVAPCJYUSXCQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4S2/c1-26-11-14-17-15(20)3-2-4-16(17)27-18(14)19(23)22-10-9-12-5-7-13(8-6-12)28(21,24)25/h2-8H,9-11H2,1H3,(H,22,23)(H2,21,24,25).
What are the key properties of 4-fluoro-3-(methoxymethyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide?
4-fluoro-3-(methoxymethyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide has a molecular weight of 422.50 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methoxymethyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 26644526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).