2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide

C14H14BrNO2S — CID 47227142

IUPAC2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2ccc(C)s2)c1
InChIInChI=1S/C14H14BrNO2S/c1-9-3-5-11(19-9)8-16-14(17)12-7-10(18-2)4-6-13(12)15/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyKFDJOAJWEGADKZ-UHFFFAOYSA-N
MW340.24 g/mol
LogP3.76
Rot. Bonds4

About 2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide

2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide (PubChem CID 47227142) has the molecular formula C14H14BrNO2S and a molecular weight of 340.24 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
PubChem CID47227142
Molecular FormulaC14H14BrNO2S
Molecular Weight340.24 g/mol
Exact Mass338.99
IUPAC Name2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCc2ccc(C)s2)c1
InChIInChI=1S/C14H14BrNO2S/c1-9-3-5-11(19-9)8-16-14(17)12-7-10(18-2)4-6-13(12)15/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyKFDJOAJWEGADKZ-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methoxybenzamide
CID 121122720
2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide
CID 103709214
2-bromo-N-(furan-3-ylmethyl)-5-methoxybenzamide
CID 47204815
2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-5-methoxybenzamide
CID 107233398
4-bromo-3-fluoro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 47450227
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
CID 115412848
2-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-methylbenzamide
CID 80979827
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
N-[[2-(aminomethyl)phenyl]methyl]-2-bromo-5-methoxybenzamide
CID 62951377
2-bromo-N-[[4-(dimethylamino)phenyl]methyl]-5-methoxybenzamide
CID 27887990
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide (CID 47227142) is 2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide is COc1ccc(Br)c(C(=O)NCc2ccc(C)s2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is KFDJOAJWEGADKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2S/c1-9-3-5-11(19-9)8-16-14(17)12-7-10(18-2)4-6-13(12)15/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of 2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide?
2-bromo-5-methoxy-N-[(5-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 340.24 g/mol, XLogP of 3.76, 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-[(5-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 47227142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).