3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide

C15H16BrNOS — CID 79467456

IUPAC3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCc1ccc(C(=O)NC(C)Cc2cccs2)cc1Br
InChIInChI=1S/C15H16BrNOS/c1-10-5-6-12(9-14(10)16)15(18)17-11(2)8-13-4-3-7-19-13/h3-7,9,11H,8H2,1-2H3,(H,17,18)
InChIKeyZSONYEYRZKOLLJ-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.18
Rot. Bonds4

About 3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide

3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide (PubChem CID 79467456) has the molecular formula C15H16BrNOS and a molecular weight of 338.27 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
PubChem CID79467456
Molecular FormulaC15H16BrNOS
Molecular Weight338.27 g/mol
Exact Mass337.01
IUPAC Name3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
SMILESCc1ccc(C(=O)NC(C)Cc2cccs2)cc1Br
InChIInChI=1S/C15H16BrNOS/c1-10-5-6-12(9-14(10)16)15(18)17-11(2)8-13-4-3-7-19-13/h3-7,9,11H,8H2,1-2H3,(H,17,18)
InChIKeyZSONYEYRZKOLLJ-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 63212844
3,4-dihydroxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 103956007
3,4-dichloro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 18711929
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
2-bromo-N-(1-thiophen-2-ylpropan-2-yl)pyridine-4-carboxamide
CID 103752713
methane;N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 159530206
3-chloro-N-[(2R)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2330910
3-iodo-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 60722842
4,5-dibromo-N-(1-thiophen-2-ylpropan-2-yl)thiophene-2-carboxamide
CID 112726741
4-(aminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 43705091
4-fluoro-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 112702369
N-[(2R)-1-thiophen-2-ylpropan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 95573285

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The IUPAC name of 3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide (CID 79467456) is 3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The canonical SMILES for 3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide is Cc1ccc(C(=O)NC(C)Cc2cccs2)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
The InChIKey is ZSONYEYRZKOLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNOS/c1-10-5-6-12(9-14(10)16)15(18)17-11(2)8-13-4-3-7-19-13/h3-7,9,11H,8H2,1-2H3,(H,17,18).
What are the key properties of 3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide?
3-bromo-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzamide has a molecular weight of 338.27 g/mol, XLogP of 4.18, 4 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-(1-thiophen-2-ylpropan-2-yl)benzamide is sourced from PubChem (CID 79467456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).