N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-fluorophenoxy)propanamide

C19H18FNO2S — CID 87005696

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-fluorophenoxy)propanamide
SMILESO=C(CCOc1ccccc1F)NCCc1csc2ccccc12
InChIInChI=1S/C19H18FNO2S/c20-16-6-2-3-7-17(16)23-12-10-19(22)21-11-9-14-13-24-18-8-4-1-5-15(14)18/h1-8,13H,9-12H2,(H,21,22)
InChIKeyPZKQANNLFSVHDN-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.17
Rot. Bonds7

About N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-fluorophenoxy)propanamide

N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-fluorophenoxy)propanamide (PubChem CID 87005696) has the molecular formula C19H18FNO2S and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-fluorophenoxy)propanamide
PubChem CID87005696
Molecular FormulaC19H18FNO2S
Molecular Weight343.42 g/mol
Exact Mass343.10
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-fluorophenoxy)propanamide
SMILESO=C(CCOc1ccccc1F)NCCc1csc2ccccc12
InChIInChI=1S/C19H18FNO2S/c20-16-6-2-3-7-17(16)23-12-10-19(22)21-11-9-14-13-24-18-8-4-1-5-15(14)18/h1-8,13H,9-12H2,(H,21,22)
InChIKeyPZKQANNLFSVHDN-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzothiophen-3-yl)ethyl]-4-(4-fluorophenoxy)butanamide
CID 112837134
N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
CID 115139367
3-(2-fluorophenoxy)-N-(2-thiophen-2-ylethyl)propanamide
CID 78779605
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide
CID 87005596
N-(2-aminoethyl)-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119382925
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780
N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide
CID 86871998
N-[2-(1-benzothiophen-3-yl)ethyl]-2,3,4,5-tetrafluorobenzamide
CID 112837021
N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119505851
methyl 2-[2-(1-benzothiophen-3-yl)ethylamino]-2-oxoacetate
CID 115142581
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenoxy)propanamide
CID 51143155

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-fluorophenoxy)propanamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-fluorophenoxy)propanamide (CID 87005696) is N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-fluorophenoxy)propanamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-fluorophenoxy)propanamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-fluorophenoxy)propanamide is O=C(CCOc1ccccc1F)NCCc1csc2ccccc12.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-fluorophenoxy)propanamide?
The InChIKey is PZKQANNLFSVHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2S/c20-16-6-2-3-7-17(16)23-12-10-19(22)21-11-9-14-13-24-18-8-4-1-5-15(14)18/h1-8,13H,9-12H2,(H,21,22).
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-fluorophenoxy)propanamide?
N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-fluorophenoxy)propanamide has a molecular weight of 343.42 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-fluorophenoxy)propanamide is sourced from PubChem (CID 87005696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).