2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide

C14H14BrNO2S — CID 27754373

IUPAC2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)N[C@@H](C)c2cccs2)c1
InChIInChI=1S/C14H14BrNO2S/c1-9(13-4-3-7-19-13)16-14(17)11-8-10(18-2)5-6-12(11)15/h3-9H,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeyUWYHGOAYBBSLDK-VIFPVBQESA-N
MW340.24 g/mol
LogP4.01
Rot. Bonds4

About 2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide

2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide (PubChem CID 27754373) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide
PubChem CID27754373
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)N[C@@H](C)c2cccs2)c1
InChIInChI=1S/C14H14BrNO2S/c1-9(13-4-3-7-19-13)16-14(17)11-8-10(18-2)5-6-12(11)15/h3-9H,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeyUWYHGOAYBBSLDK-VIFPVBQESA-N
XLogP4.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 80958201
2-fluoro-4-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 27754688
3-methoxy-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918037
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
CID 8752261
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromo-5-methoxybenzamide
CID 17496272
methyl 2-[(2-bromo-5-methoxybenzoyl)amino]-3-methylbutanoate
CID 43404116
2-bromo-5-(cyclopropylsulfamoyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 27755032
4-bromo-2-hydroxy-N-(1-thiophen-2-ylethyl)benzamide
CID 47436073
3-amino-5-methoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 78985127
4-amino-2-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 107207953
N-(4-amino-4-oxobutan-2-yl)-2-bromo-5-methoxybenzamide
CID 115649764
2-bromo-N-(5-chloropentan-2-yl)-5-methoxybenzamide
CID 114305731

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide (CID 27754373) is 2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide is COc1ccc(Br)c(C(=O)N[C@@H](C)c2cccs2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
The InChIKey is UWYHGOAYBBSLDK-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-9(13-4-3-7-19-13)16-14(17)11-8-10(18-2)5-6-12(11)15/h3-9H,1-2H3,(H,16,17)/t9-/m0/s1.
What are the key properties of 2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide?
2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide has a molecular weight of 340.24 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide is sourced from PubChem (CID 27754373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).