5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide

C14H14BrNOS — CID 79012096

IUPAC5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccc(Br)cc1C(=O)NCc1sccc1C
InChIInChI=1S/C14H14BrNOS/c1-9-3-4-11(15)7-12(9)14(17)16-8-13-10(2)5-6-18-13/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyMDJYOJOMXGFGFD-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.06
Rot. Bonds3

About 5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide

5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 79012096) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID79012096
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCc1ccc(Br)cc1C(=O)NCc1sccc1C
InChIInChI=1S/C14H14BrNOS/c1-9-3-4-11(15)7-12(9)14(17)16-8-13-10(2)5-6-18-13/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyMDJYOJOMXGFGFD-UHFFFAOYSA-N
XLogP4.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 107872948
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-methylbenzamide
CID 65307761
2,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]furan-3-carboxamide
CID 32986981
5-chloro-2-iodo-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 52589331
5-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide
CID 107231263
5-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-iodobenzamide
CID 114033134
1-(3-bromophenyl)-3-[(3-methylthiophen-2-yl)methyl]urea
CID 47031800
4-bromo-1-ethyl-N-[(3-methylthiophen-2-yl)methyl]pyrrole-2-carboxamide
CID 78990952
4-amino-2-chloro-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 78984714
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500891
5-bromo-2-methyl-N-(2-methylpropyl)benzamide
CID 65308117
ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate
CID 65307374

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 79012096) is 5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide is Cc1ccc(Br)cc1C(=O)NCc1sccc1C.
What is the InChIKey of 5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is MDJYOJOMXGFGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-9-3-4-11(15)7-12(9)14(17)16-8-13-10(2)5-6-18-13/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide?
5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 324.24 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 79012096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).