2,6-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide

C14H13F2NO2S — CID 95982652

IUPAC2,6-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccsc1[C@@H](O)CNC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H13F2NO2S/c1-8-5-6-20-13(8)11(18)7-17-14(19)12-9(15)3-2-4-10(12)16/h2-6,11,18H,7H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyYQEFKMHHACTEHV-NSHDSACASA-N
MW297.33 g/mol
LogP2.80
Rot. Bonds4

About 2,6-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide

2,6-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide (PubChem CID 95982652) has the molecular formula C14H13F2NO2S and a molecular weight of 297.33 g/mol. Its IUPAC name is 2,6-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide
PubChem CID95982652
Molecular FormulaC14H13F2NO2S
Molecular Weight297.33 g/mol
Exact Mass297.06
IUPAC Name2,6-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccsc1[C@@H](O)CNC(=O)c1c(F)cccc1F
InChIInChI=1S/C14H13F2NO2S/c1-8-5-6-20-13(8)11(18)7-17-14(19)12-9(15)3-2-4-10(12)16/h2-6,11,18H,7H2,1H3,(H,17,19)/t11-/m0/s1
InChIKeyYQEFKMHHACTEHV-NSHDSACASA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.80
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-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide (CID 95982652) is 2,6-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide is Cc1ccsc1[C@@H](O)CNC(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide?
The InChIKey is YQEFKMHHACTEHV-NSHDSACASA-N. The full InChI is InChI=1S/C14H13F2NO2S/c1-8-5-6-20-13(8)11(18)7-17-14(19)12-9(15)3-2-4-10(12)16/h2-6,11,18H,7H2,1H3,(H,17,19)/t11-/m0/s1.
What are the key properties of 2,6-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide?
2,6-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide has a molecular weight of 297.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[(2S)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 95982652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).