N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide

C17H15F2NO2S — CID 111451266

IUPACN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESO=C(NCC(O)c1c(F)cccc1F)C1CSc2ccccc21
InChIInChI=1S/C17H15F2NO2S/c18-12-5-3-6-13(19)16(12)14(21)8-20-17(22)11-9-23-15-7-2-1-4-10(11)15/h1-7,11,14,21H,8-9H2,(H,20,22)
InChIKeyYLGQFOVHXAIMRV-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.00
Rot. Bonds4

About N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide (PubChem CID 111451266) has the molecular formula C17H15F2NO2S and a molecular weight of 335.38 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
PubChem CID111451266
Molecular FormulaC17H15F2NO2S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
SMILESO=C(NCC(O)c1c(F)cccc1F)C1CSc2ccccc21
InChIInChI=1S/C17H15F2NO2S/c18-12-5-3-6-13(19)16(12)14(21)8-20-17(22)11-9-23-15-7-2-1-4-10(11)15/h1-7,11,14,21H,8-9H2,(H,20,22)
InChIKeyYLGQFOVHXAIMRV-UHFFFAOYSA-N
XLogP3.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 71781674
2-(thiophen-2-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 71781968
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
2-((4-fluorophenyl)thio)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 71781980
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-((4-fluorophenyl)thio)acetamide
CID 71788774

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide (CID 111451266) is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide is O=C(NCC(O)c1c(F)cccc1F)C1CSc2ccccc21.
What is the InChIKey of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
The InChIKey is YLGQFOVHXAIMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO2S/c18-12-5-3-6-13(19)16(12)14(21)8-20-17(22)11-9-23-15-7-2-1-4-10(11)15/h1-7,11,14,21H,8-9H2,(H,20,22).
What are the key properties of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide?
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2,3-dihydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 111451266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).