N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

C17H16FNOS — CID 18138195

IUPACN-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCCc1ccccc1F)C1Cc2ccccc2S1
InChIInChI=1S/C17H16FNOS/c18-14-7-3-1-5-12(14)9-10-19-17(20)16-11-13-6-2-4-8-15(13)21-16/h1-8,16H,9-11H2,(H,19,20)
InChIKeyDZESHEAVKSQUDS-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.20
Rot. Bonds4

About N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (PubChem CID 18138195) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
PubChem CID18138195
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
SMILESO=C(NCCc1ccccc1F)C1Cc2ccccc2S1
InChIInChI=1S/C17H16FNOS/c18-14-7-3-1-5-12(14)9-10-19-17(20)16-11-13-6-2-4-8-15(13)21-16/h1-8,16H,9-11H2,(H,19,20)
InChIKeyDZESHEAVKSQUDS-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide (CID 18138195) is N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is O=C(NCCc1ccccc1F)C1Cc2ccccc2S1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
The InChIKey is DZESHEAVKSQUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS/c18-14-7-3-1-5-12(14)9-10-19-17(20)16-11-13-6-2-4-8-15(13)21-16/h1-8,16H,9-11H2,(H,19,20).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 18138195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).