N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(2-fluorophenyl)propanamide

C20H20FNO2S — CID 86263988

IUPACN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(2-fluorophenyl)propanamide
SMILESCC(O)(CNC(=O)CCc1ccccc1F)c1cc2ccccc2s1
InChIInChI=1S/C20H20FNO2S/c1-20(24,18-12-15-7-3-5-9-17(15)25-18)13-22-19(23)11-10-14-6-2-4-8-16(14)21/h2-9,12,24H,10-11,13H2,1H3,(H,22,23)
InChIKeyWOOQTSKKTGESLT-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.00
Rot. Bonds6

About N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(2-fluorophenyl)propanamide

N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(2-fluorophenyl)propanamide (PubChem CID 86263988) has the molecular formula C20H20FNO2S and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(2-fluorophenyl)propanamide
PubChem CID86263988
Molecular FormulaC20H20FNO2S
Molecular Weight357.45 g/mol
Exact Mass357.12
IUPAC NameN-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(2-fluorophenyl)propanamide
SMILESCC(O)(CNC(=O)CCc1ccccc1F)c1cc2ccccc2s1
InChIInChI=1S/C20H20FNO2S/c1-20(24,18-12-15-7-3-5-9-17(15)25-18)13-22-19(23)11-10-14-6-2-4-8-16(14)21/h2-9,12,24H,10-11,13H2,1H3,(H,22,23)
InChIKeyWOOQTSKKTGESLT-UHFFFAOYSA-N
XLogP4.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(2-fluorophenyl)propanamide (CID 86263988) is N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(2-fluorophenyl)propanamide is CC(O)(CNC(=O)CCc1ccccc1F)c1cc2ccccc2s1.
What is the InChIKey of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(2-fluorophenyl)propanamide?
The InChIKey is WOOQTSKKTGESLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2S/c1-20(24,18-12-15-7-3-5-9-17(15)25-18)13-22-19(23)11-10-14-6-2-4-8-16(14)21/h2-9,12,24H,10-11,13H2,1H3,(H,22,23).
What are the key properties of N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(2-fluorophenyl)propanamide?
N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(2-fluorophenyl)propanamide has a molecular weight of 357.45 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 86263988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).