N-(2-aminoethyl)-5-fluoro-2,3-dihydro-1-benzothiophene-2-carboxamide

C11H13FN2OS — CID 70840534

IUPACN-(2-aminoethyl)-5-fluoro-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESNCCNC(=O)C1Cc2cc(F)ccc2S1
InChIInChI=1S/C11H13FN2OS/c12-8-1-2-9-7(5-8)6-10(16-9)11(15)14-4-3-13/h1-2,5,10H,3-4,6,13H2,(H,14,15)
InChIKeyIFIRKCAAPCOKAD-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.92
Rot. Bonds3

About N-(2-aminoethyl)-5-fluoro-2,3-dihydro-1-benzothiophene-2-carboxamide

N-(2-aminoethyl)-5-fluoro-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 70840534) has the molecular formula C11H13FN2OS and a molecular weight of 240.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-fluoro-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-fluoro-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID70840534
Molecular FormulaC11H13FN2OS
Molecular Weight240.30 g/mol
Exact Mass240.07
IUPAC NameN-(2-aminoethyl)-5-fluoro-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESNCCNC(=O)C1Cc2cc(F)ccc2S1
InChIInChI=1S/C11H13FN2OS/c12-8-1-2-9-7(5-8)6-10(16-9)11(15)14-4-3-13/h1-2,5,10H,3-4,6,13H2,(H,14,15)
InChIKeyIFIRKCAAPCOKAD-UHFFFAOYSA-N
XLogP0.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-fluoro-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-fluoro-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 70840534) is N-(2-aminoethyl)-5-fluoro-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-fluoro-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-fluoro-2,3-dihydro-1-benzothiophene-2-carboxamide is NCCNC(=O)C1Cc2cc(F)ccc2S1.
What is the InChIKey of N-(2-aminoethyl)-5-fluoro-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is IFIRKCAAPCOKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2OS/c12-8-1-2-9-7(5-8)6-10(16-9)11(15)14-4-3-13/h1-2,5,10H,3-4,6,13H2,(H,14,15).
What are the key properties of N-(2-aminoethyl)-5-fluoro-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-(2-aminoethyl)-5-fluoro-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-fluoro-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 70840534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).