N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]acetamide

C18H15F2NOS2 — CID 53231366

IUPACN-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12
InChIInChI=1S/C18H15F2NOS2/c1-11(22)21-9-8-15-16-10-13(20)4-7-17(16)24-18(15)23-14-5-2-12(19)3-6-14/h2-7,10H,8-9H2,1H3,(H,21,22)
InChIKeyQDUMTUZTHHQTAT-UHFFFAOYSA-N
MW363.45 g/mol
LogP5.01
Rot. Bonds5

About N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]acetamide

N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]acetamide (PubChem CID 53231366) has the molecular formula C18H15F2NOS2 and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]acetamide
PubChem CID53231366
Molecular FormulaC18H15F2NOS2
Molecular Weight363.45 g/mol
Exact Mass363.06
IUPAC NameN-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]acetamide
SMILESCC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12
InChIInChI=1S/C18H15F2NOS2/c1-11(22)21-9-8-15-16-10-13(20)4-7-17(16)24-18(15)23-14-5-2-12(19)3-6-14/h2-7,10H,8-9H2,1H3,(H,21,22)
InChIKeyQDUMTUZTHHQTAT-UHFFFAOYSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(5-fluoro-2-(4-fluorophenylthio)benzo[b]thiophen-3-yl)ethyl)propionamide
CID 11463056
AANAT Inhibitor, 8h
CID 57340189
S22153
CID 9816339
N-(2-(5-fluoro-2-(4-fluorophenylthio)benzo[b]thiophen-3-yl)ethyl)but-3-enamide
CID 52953165
N-(2-(5-fluorobenzo[b]thiophen-3-yl)ethyl)acetamide
CID 53231465
N-(2-(5-fluoro-2-(4-fluorophenylthio)benzo[b]thiophen-3-yl)ethyl)bromoacetamide
CID 11351216
N-(2-(5-fluoro-2-(4-fluorophenylthio)benzo[b]thiophen-3-yl)ethyl)cyclobutanecarboxamide
CID 11418246
N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]pentanamide
CID 21469682
N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]propanamide
CID 21469691
AANAT Inhibitor, 8e
CID 57340188
2-(1-benzothiophen-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 16011871
4-chloro-N-(2-(5-fluoro-2-(4-fluorophenylthio)benzo[b]thiophen-3-yl)ethyl)butanamide
CID 53231367

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]acetamide (CID 53231366) is N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]acetamide is CC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12.
What is the InChIKey of N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]acetamide?
The InChIKey is QDUMTUZTHHQTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NOS2/c1-11(22)21-9-8-15-16-10-13(20)4-7-17(16)24-18(15)23-14-5-2-12(19)3-6-14/h2-7,10H,8-9H2,1H3,(H,21,22).
What are the key properties of N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]acetamide?
N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]acetamide has a molecular weight of 363.45 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]acetamide is sourced from PubChem (CID 53231366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).