3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide

C13H12BrNOS — CID 79460548

IUPAC3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cccs2)cc1Br
InChIInChI=1S/C13H12BrNOS/c1-9-4-5-10(7-12(9)14)13(16)15-8-11-3-2-6-17-11/h2-7H,8H2,1H3,(H,15,16)
InChIKeySWVRTBOCNVYXGM-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.75
Rot. Bonds3

About 3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide

3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 79460548) has the molecular formula C13H12BrNOS and a molecular weight of 310.22 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID79460548
Molecular FormulaC13H12BrNOS
Molecular Weight310.22 g/mol
Exact Mass308.98
IUPAC Name3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cccs2)cc1Br
InChIInChI=1S/C13H12BrNOS/c1-9-4-5-10(7-12(9)14)13(16)15-8-11-3-2-6-17-11/h2-7H,8H2,1H3,(H,15,16)
InChIKeySWVRTBOCNVYXGM-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-bromo-N-(thiophen-2-ylmethyl)benzamide
CID 61093192
3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 79467456
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
3-bromo-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 54793444
3-bromo-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 935017
N'-(3-bromo-4-methylbenzoyl)thiophene-2-carbohydrazide
CID 920970
3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79466321
3-bromo-N-(2-methoxyethyl)-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460854
3-bromo-N-[(4-hydroxyphenyl)methyl]-4-methylbenzamide
CID 115671047
5-tert-butyl-1-N,3-N-bis(thiophen-2-ylmethyl)benzene-1,3-dicarboxamide
CID 2801009
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
3-bromo-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 81476107

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide (CID 79460548) is 3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide is Cc1ccc(C(=O)NCc2cccs2)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is SWVRTBOCNVYXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNOS/c1-9-4-5-10(7-12(9)14)13(16)15-8-11-3-2-6-17-11/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide?
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 310.22 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 79460548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).