3-bromo-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide

C16H18BrNOS — CID 104852226

IUPAC3-bromo-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
SMILESCc1cc(Br)cc(C(=O)NC(c2cccs2)C(C)C)c1
InChIInChI=1S/C16H18BrNOS/c1-10(2)15(14-5-4-6-20-14)18-16(19)12-7-11(3)8-13(17)9-12/h4-10,15H,1-3H3,(H,18,19)
InChIKeyNVONEKKNEYBNAA-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.95
Rot. Bonds4

About 3-bromo-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide

3-bromo-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide (PubChem CID 104852226) has the molecular formula C16H18BrNOS and a molecular weight of 352.30 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
PubChem CID104852226
Molecular FormulaC16H18BrNOS
Molecular Weight352.30 g/mol
Exact Mass351.03
IUPAC Name3-bromo-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
SMILESCc1cc(Br)cc(C(=O)NC(c2cccs2)C(C)C)c1
InChIInChI=1S/C16H18BrNOS/c1-10(2)15(14-5-4-6-20-14)18-16(19)12-7-11(3)8-13(17)9-12/h4-10,15H,1-3H3,(H,18,19)
InChIKeyNVONEKKNEYBNAA-UHFFFAOYSA-N
XLogP4.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051719
3,4,5-triethoxy-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 55397848
4-fluoro-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051637
3-bromo-N-(3,3-dimethylbutan-2-yl)-5-methylbenzamide
CID 104853017
2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107971632
2-[(3-bromo-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 104850643
1,3-bis(2-methyl-1-thiophen-2-ylpropyl)urea
CID 47023834
2-tert-butyl-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-5-carboxamide
CID 46964063
3-bromo-5-methyl-N-(3-methylpentan-2-yl)benzamide
CID 104852533
3-methyl-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918060
3-bromo-5-methyl-N-pentan-3-ylbenzamide
CID 104851702
3-(difluoromethoxy)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051674

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
The IUPAC name of 3-bromo-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide (CID 104852226) is 3-bromo-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide is Cc1cc(Br)cc(C(=O)NC(c2cccs2)C(C)C)c1.
What is the InChIKey of 3-bromo-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
The InChIKey is NVONEKKNEYBNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNOS/c1-10(2)15(14-5-4-6-20-14)18-16(19)12-7-11(3)8-13(17)9-12/h4-10,15H,1-3H3,(H,18,19).
What are the key properties of 3-bromo-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
3-bromo-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide has a molecular weight of 352.30 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide is sourced from PubChem (CID 104852226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).