3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide

C15H16BrNOS — CID 104852791

IUPAC3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NCc2cc(C)c(C)s2)c1
InChIInChI=1S/C15H16BrNOS/c1-9-4-12(7-13(16)5-9)15(18)17-8-14-6-10(2)11(3)19-14/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyMMTRUEGQVKUHQD-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.37
Rot. Bonds3

About 3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide

3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide (PubChem CID 104852791) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide
PubChem CID104852791
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide
SMILESCc1cc(Br)cc(C(=O)NCc2cc(C)c(C)s2)c1
InChIInChI=1S/C15H16BrNOS/c1-9-4-12(7-13(16)5-9)15(18)17-8-14-6-10(2)11(3)19-14/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyMMTRUEGQVKUHQD-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 82832446
3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 107999567
2-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 113255745
3-bromo-N-[(4-ethylphenyl)methyl]-5-methylbenzamide
CID 106899931
3,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 107980409
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide
CID 65245855
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide
CID 102705675
3-bromo-5-methyl-N-(2-oxopropyl)benzamide
CID 104851607
4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 65243956
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide
CID 107075489
N-[(4,5-dimethylthiophen-2-yl)methyl]-5-hydroxypyridine-3-carboxamide
CID 65244137
3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide
CID 113460610

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide?
The IUPAC name of 3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide (CID 104852791) is 3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide?
The canonical SMILES for 3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide is Cc1cc(Br)cc(C(=O)NCc2cc(C)c(C)s2)c1.
What is the InChIKey of 3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide?
The InChIKey is MMTRUEGQVKUHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-9-4-12(7-13(16)5-9)15(18)17-8-14-6-10(2)11(3)19-14/h4-7H,8H2,1-3H3,(H,17,18).
What are the key properties of 3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide?
3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide has a molecular weight of 338.27 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-methylbenzamide is sourced from PubChem (CID 104852791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).