2,6-difluoro-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide

C14H13F2NO2S — CID 99981002

IUPAC2,6-difluoro-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide
SMILESO=C(NCC[C@H](O)c1ccsc1)c1c(F)cccc1F
InChIInChI=1S/C14H13F2NO2S/c15-10-2-1-3-11(16)13(10)14(19)17-6-4-12(18)9-5-7-20-8-9/h1-3,5,7-8,12,18H,4,6H2,(H,17,19)/t12-/m0/s1
InChIKeyYXYZTBJTNJBWDK-LBPRGKRZSA-N
MW297.33 g/mol
LogP2.88
Rot. Bonds5

About 2,6-difluoro-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide

2,6-difluoro-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide (PubChem CID 99981002) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is 2,6-difluoro-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide
PubChem CID99981002
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC Name2,6-difluoro-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide
SMILESO=C(NCC[C@H](O)c1ccsc1)c1c(F)cccc1F
InChIInChI=1S/C14H13F2NO2S/c15-10-2-1-3-11(16)13(10)14(19)17-6-4-12(18)9-5-7-20-8-9/h1-3,5,7-8,12,18H,4,6H2,(H,17,19)/t12-/m0/s1
InChIKeyYXYZTBJTNJBWDK-LBPRGKRZSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide (CID 99981002) is 2,6-difluoro-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide is O=C(NCC[C@H](O)c1ccsc1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide?
The InChIKey is YXYZTBJTNJBWDK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H13F2NO2S/c15-10-2-1-3-11(16)13(10)14(19)17-6-4-12(18)9-5-7-20-8-9/h1-3,5,7-8,12,18H,4,6H2,(H,17,19)/t12-/m0/s1.
What are the key properties of 2,6-difluoro-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide?
2,6-difluoro-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide has a molecular weight of 297.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzamide is sourced from PubChem (CID 99981002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).