N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide

C17H16FNO2S — CID 111427391

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESO=C(NCC(O)c1ccc(F)cc1)C1CSc2ccccc21
InChIInChI=1S/C17H16FNO2S/c18-12-7-5-11(6-8-12)15(20)9-19-17(21)14-10-22-16-4-2-1-3-13(14)16/h1-8,14-15,20H,9-10H2,(H,19,21)
InChIKeyBDRNJXSBWBNUIZ-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.86
Rot. Bonds4

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 111427391) has the molecular formula C17H16FNO2S and a molecular weight of 317.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID111427391
Molecular FormulaC17H16FNO2S
Molecular Weight317.38 g/mol
Exact Mass317.09
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESO=C(NCC(O)c1ccc(F)cc1)C1CSc2ccccc21
InChIInChI=1S/C17H16FNO2S/c18-12-7-5-11(6-8-12)15(20)9-19-17(21)14-10-22-16-4-2-1-3-13(14)16/h1-8,14-15,20H,9-10H2,(H,19,21)
InChIKeyBDRNJXSBWBNUIZ-UHFFFAOYSA-N
XLogP2.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-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

2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 71781674
N-[2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 71781710
3-(phenylthio)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)propanamide
CID 71781979
1-(4-fluorophenyl)-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)cyclopropanecarboxamide
CID 71782447
(2R,3S)-3-benzyl-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-(4-methylphenyl)sulfinylbutanamide
CID 134917517
N-(2-hydroxy-2-phenylpropyl)-2-(4-(isopropylthio)phenyl)acetamide
CID 56765368
N-[2-hydroxy-2-(thiophen-2-yl)ethyl]-3,3-diphenylpropanamide
CID 71782444
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-3-(phenylthio)propanamide
CID 56765450
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2-(4-(isopropylthio)phenyl)acetamide
CID 56765462
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-thiophen-2-ylpropanamide
CID 56783592
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-((4-fluorophenyl)thio)acetamide
CID 71788774
2-(4-fluorophenyl)-N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)acetamide
CID 71803787

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 111427391) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide is O=C(NCC(O)c1ccc(F)cc1)C1CSc2ccccc21.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is BDRNJXSBWBNUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2S/c18-12-7-5-11(6-8-12)15(20)9-19-17(21)14-10-22-16-4-2-1-3-13(14)16/h1-8,14-15,20H,9-10H2,(H,19,21).
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 317.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 111427391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).