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

C19H18FNO2S — CID 91630861

IUPACN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide
SMILESO=C(CCc1ccccc1F)NCC(O)c1csc2ccccc12
InChIInChI=1S/C19H18FNO2S/c20-16-7-3-1-5-13(16)9-10-19(23)21-11-17(22)15-12-24-18-8-4-2-6-14(15)18/h1-8,12,17,22H,9-11H2,(H,21,23)
InChIKeyISOOPURPMUNQDQ-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.82
Rot. Bonds6

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

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide (PubChem CID 91630861) has the molecular formula C19H18FNO2S and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide
PubChem CID91630861
Molecular FormulaC19H18FNO2S
Molecular Weight343.42 g/mol
Exact Mass343.10
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide
SMILESO=C(CCc1ccccc1F)NCC(O)c1csc2ccccc12
InChIInChI=1S/C19H18FNO2S/c20-16-7-3-1-5-13(16)9-10-19(23)21-11-17(22)15-12-24-18-8-4-2-6-14(15)18/h1-8,12,17,22H,9-11H2,(H,21,23)
InChIKeyISOOPURPMUNQDQ-UHFFFAOYSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.82
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-3-yl)-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide (CID 91630861) is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide is O=C(CCc1ccccc1F)NCC(O)c1csc2ccccc12.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide?
The InChIKey is ISOOPURPMUNQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2S/c20-16-7-3-1-5-13(16)9-10-19(23)21-11-17(22)15-12-24-18-8-4-2-6-14(15)18/h1-8,12,17,22H,9-11H2,(H,21,23).
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide?
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide has a molecular weight of 343.42 g/mol, XLogP of 3.82, 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-3-yl)-2-hydroxyethyl]-3-(2-fluorophenyl)propanamide is sourced from PubChem (CID 91630861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).