2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide

C15H16FNO2S — CID 97417380

IUPAC2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCO[C@@H](CNC(=O)c1ccccc1F)c1ccc(C)s1
InChIInChI=1S/C15H16FNO2S/c1-10-7-8-14(20-10)13(19-2)9-17-15(18)11-5-3-4-6-12(11)16/h3-8,13H,9H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyITFNNHDITCQUFC-ZDUSSCGKSA-N
MW293.36 g/mol
LogP3.31
Rot. Bonds5

About 2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide

2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide (PubChem CID 97417380) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
PubChem CID97417380
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide
SMILESCO[C@@H](CNC(=O)c1ccccc1F)c1ccc(C)s1
InChIInChI=1S/C15H16FNO2S/c1-10-7-8-14(20-10)13(19-2)9-17-15(18)11-5-3-4-6-12(11)16/h3-8,13H,9H2,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyITFNNHDITCQUFC-ZDUSSCGKSA-N
XLogP3.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide (CID 97417380) is 2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide is CO[C@@H](CNC(=O)c1ccccc1F)c1ccc(C)s1.
What is the InChIKey of 2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide?
The InChIKey is ITFNNHDITCQUFC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-10-7-8-14(20-10)13(19-2)9-17-15(18)11-5-3-4-6-12(11)16/h3-8,13H,9H2,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of 2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide?
2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide has a molecular weight of 293.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 97417380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).