2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide

C14H14BrNO2S — CID 90583943

IUPAC2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
SMILESCOC(CNC(=O)c1ccccc1Br)c1ccsc1
InChIInChI=1S/C14H14BrNO2S/c1-18-13(10-6-7-19-9-10)8-16-14(17)11-4-2-3-5-12(11)15/h2-7,9,13H,8H2,1H3,(H,16,17)
InChIKeyPDOJTASGIUVOJU-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.63
Rot. Bonds5

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

2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide (PubChem CID 90583943) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
PubChem CID90583943
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
SMILESCOC(CNC(=O)c1ccccc1Br)c1ccsc1
InChIInChI=1S/C14H14BrNO2S/c1-18-13(10-6-7-19-9-10)8-16-14(17)11-4-2-3-5-12(11)15/h2-7,9,13H,8H2,1H3,(H,16,17)
InChIKeyPDOJTASGIUVOJU-UHFFFAOYSA-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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Related Compounds

2-bromo-5-methoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583971
2-ethylsulfanyl-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]benzamide
CID 97414435
2-bromo-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]benzamide
CID 16931182
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
4-bromo-N-[(2S)-2-methoxy-2-thiophen-3-ylethyl]thiophene-2-carboxamide
CID 97427365
2,6-dimethoxy-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583915
N-(2-methoxy-2-thiophen-3-ylethyl)-4-phenoxybenzamide
CID 90583960
N-(2-methoxy-2-thiophen-3-ylethyl)-2-oxochromene-3-carboxamide
CID 90583931
1-benzyl-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414533
4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583852
ethyl N-(2-methoxy-2-thiophen-3-ylethyl)carbamate
CID 71804729
1-(2-methoxyethyl)-3-[(2R)-2-methoxy-2-thiophen-3-ylethyl]urea
CID 97414529

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide (CID 90583943) is 2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide is COC(CNC(=O)c1ccccc1Br)c1ccsc1.
What is the InChIKey of 2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide?
The InChIKey is PDOJTASGIUVOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-18-13(10-6-7-19-9-10)8-16-14(17)11-4-2-3-5-12(11)15/h2-7,9,13H,8H2,1H3,(H,16,17).
What are the key properties of 2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide?
2-bromo-N-(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 2-bromo-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 90583943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).