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

C19H17F2NOS2 — CID 11463056

IUPACN-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12
InChIInChI=1S/C19H17F2NOS2/c1-2-18(23)22-10-9-15-16-11-13(21)5-8-17(16)25-19(15)24-14-6-3-12(20)4-7-14/h3-8,11H,2,9-10H2,1H3,(H,22,23)
InChIKeyYSLKHVWOBDFWHD-UHFFFAOYSA-N
MW377.48 g/mol
LogP5.40
Rot. Bonds6

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

N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]propanamide (PubChem CID 11463056) has the molecular formula C19H17F2NOS2 and a molecular weight of 377.48 g/mol. Its IUPAC name is N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]propanamide
PubChem CID11463056
Molecular FormulaC19H17F2NOS2
Molecular Weight377.48 g/mol
Exact Mass377.07
IUPAC NameN-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12
InChIInChI=1S/C19H17F2NOS2/c1-2-18(23)22-10-9-15-16-11-13(21)5-8-17(16)25-19(15)24-14-6-3-12(20)4-7-14/h3-8,11H,2,9-10H2,1H3,(H,22,23)
InChIKeyYSLKHVWOBDFWHD-UHFFFAOYSA-N
XLogP5.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]propanamide?
The IUPAC name of N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]propanamide (CID 11463056) is N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]propanamide is CCC(=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]propanamide?
The InChIKey is YSLKHVWOBDFWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NOS2/c1-2-18(23)22-10-9-15-16-11-13(21)5-8-17(16)25-19(15)24-14-6-3-12(20)4-7-14/h3-8,11H,2,9-10H2,1H3,(H,22,23).
What are the key properties of N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]propanamide?
N-[2-[5-fluoro-2-(4-fluorophenyl)sulfanyl-1-benzothiophen-3-yl]ethyl]propanamide has a molecular weight of 377.48 g/mol, XLogP of 5.40, 6 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]propanamide is sourced from PubChem (CID 11463056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).