N-[2-(1-benzothiophen-3-yl)ethyl]-4-(4-fluorophenoxy)butanamide

C20H20FNO2S — CID 112837134

IUPACN-[2-(1-benzothiophen-3-yl)ethyl]-4-(4-fluorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(F)cc1)NCCc1csc2ccccc12
InChIInChI=1S/C20H20FNO2S/c21-16-7-9-17(10-8-16)24-13-3-6-20(23)22-12-11-15-14-25-19-5-2-1-4-18(15)19/h1-2,4-5,7-10,14H,3,6,11-13H2,(H,22,23)
InChIKeyXAMYUUPNZFVVGP-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.56
Rot. Bonds8

About N-[2-(1-benzothiophen-3-yl)ethyl]-4-(4-fluorophenoxy)butanamide

N-[2-(1-benzothiophen-3-yl)ethyl]-4-(4-fluorophenoxy)butanamide (PubChem CID 112837134) has the molecular formula C20H20FNO2S and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)ethyl]-4-(4-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)ethyl]-4-(4-fluorophenoxy)butanamide
PubChem CID112837134
Molecular FormulaC20H20FNO2S
Molecular Weight357.45 g/mol
Exact Mass357.12
IUPAC NameN-[2-(1-benzothiophen-3-yl)ethyl]-4-(4-fluorophenoxy)butanamide
SMILESO=C(CCCOc1ccc(F)cc1)NCCc1csc2ccccc12
InChIInChI=1S/C20H20FNO2S/c21-16-7-9-17(10-8-16)24-13-3-6-20(23)22-12-11-15-14-25-19-5-2-1-4-18(15)19/h1-2,4-5,7-10,14H,3,6,11-13H2,(H,22,23)
InChIKeyXAMYUUPNZFVVGP-UHFFFAOYSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-benzothiophen-3-yl)ethyl]-3-(2-fluorophenoxy)propanamide
CID 87005696
N-[2-(1-benzothiophen-3-yl)ethyl]-3-hydroxypropanamide
CID 115139367
N-[2-(1-benzothiophen-3-yl)ethyl]-4-fluorobenzamide
CID 87005596
4-(1-benzothiophen-3-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119433107
4-(4-fluorophenoxy)-N-(2-pyridin-2-ylethyl)butanamide
CID 86920418
N-[2-(1-benzothiophen-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 112837044
N-[2-(1-benzothiophen-3-yl)ethyl]-2-(2-phenylethoxy)acetamide
CID 86871998
N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide
CID 110605250
N-[2-(1-benzothiophen-3-yl)ethyl]-4-(difluoromethoxy)benzamide
CID 112837108
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)butanamide
CID 46532046
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
methyl 2-[2-(1-benzothiophen-3-yl)ethylamino]-2-oxoacetate
CID 115142581

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-4-(4-fluorophenoxy)butanamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)ethyl]-4-(4-fluorophenoxy)butanamide (CID 112837134) is N-[2-(1-benzothiophen-3-yl)ethyl]-4-(4-fluorophenoxy)butanamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)ethyl]-4-(4-fluorophenoxy)butanamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)ethyl]-4-(4-fluorophenoxy)butanamide is O=C(CCCOc1ccc(F)cc1)NCCc1csc2ccccc12.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)ethyl]-4-(4-fluorophenoxy)butanamide?
The InChIKey is XAMYUUPNZFVVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2S/c21-16-7-9-17(10-8-16)24-13-3-6-20(23)22-12-11-15-14-25-19-5-2-1-4-18(15)19/h1-2,4-5,7-10,14H,3,6,11-13H2,(H,22,23).
What are the key properties of N-[2-(1-benzothiophen-3-yl)ethyl]-4-(4-fluorophenoxy)butanamide?
N-[2-(1-benzothiophen-3-yl)ethyl]-4-(4-fluorophenoxy)butanamide has a molecular weight of 357.45 g/mol, XLogP of 4.56, 8 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]-4-(4-fluorophenoxy)butanamide is sourced from PubChem (CID 112837134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).