3-bromo-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide

C14H14BrNO2S — CID 97414449

IUPAC3-bromo-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide
SMILESCO[C@@H](CNC(=O)c1cccc(Br)c1)c1ccsc1
InChIInChI=1S/C14H14BrNO2S/c1-18-13(11-5-6-19-9-11)8-16-14(17)10-3-2-4-12(15)7-10/h2-7,9,13H,8H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyJTGJFZFEXCEGKD-ZDUSSCGKSA-N
MW340.24 g/mol
LogP3.63
Rot. Bonds5

About 3-bromo-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide

3-bromo-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide (PubChem CID 97414449) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 3-bromo-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide
PubChem CID97414449
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name3-bromo-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide
SMILESCO[C@@H](CNC(=O)c1cccc(Br)c1)c1ccsc1
InChIInChI=1S/C14H14BrNO2S/c1-18-13(11-5-6-19-9-11)8-16-14(17)10-3-2-4-12(15)7-10/h2-7,9,13H,8H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyJTGJFZFEXCEGKD-ZDUSSCGKSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide?
The IUPAC name of 3-bromo-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide (CID 97414449) is 3-bromo-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide?
The canonical SMILES for 3-bromo-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide is CO[C@@H](CNC(=O)c1cccc(Br)c1)c1ccsc1.
What is the InChIKey of 3-bromo-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide?
The InChIKey is JTGJFZFEXCEGKD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-18-13(11-5-6-19-9-11)8-16-14(17)10-3-2-4-12(15)7-10/h2-7,9,13H,8H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of 3-bromo-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide?
3-bromo-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide has a molecular weight of 340.24 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide is sourced from PubChem (CID 97414449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).