2-bromo-4-methyl-N-(5-methylsulfanylpentyl)benzamide

C14H20BrNOS — CID 104920154

IUPAC2-bromo-4-methyl-N-(5-methylsulfanylpentyl)benzamide
SMILESCSCCCCCNC(=O)c1ccc(C)cc1Br
InChIInChI=1S/C14H20BrNOS/c1-11-6-7-12(13(15)10-11)14(17)16-8-4-3-5-9-18-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyBBBSLUNGHWVQQE-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.02
Rot. Bonds7

About 2-bromo-4-methyl-N-(5-methylsulfanylpentyl)benzamide

2-bromo-4-methyl-N-(5-methylsulfanylpentyl)benzamide (PubChem CID 104920154) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is 2-bromo-4-methyl-N-(5-methylsulfanylpentyl)benzamide.

Molecular Properties

Compound Name2-bromo-4-methyl-N-(5-methylsulfanylpentyl)benzamide
PubChem CID104920154
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC Name2-bromo-4-methyl-N-(5-methylsulfanylpentyl)benzamide
SMILESCSCCCCCNC(=O)c1ccc(C)cc1Br
InChIInChI=1S/C14H20BrNOS/c1-11-6-7-12(13(15)10-11)14(17)16-8-4-3-5-9-18-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyBBBSLUNGHWVQQE-UHFFFAOYSA-N
XLogP4.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(6-bromohexyl)-4-methylbenzamide
CID 107847962
5-bromo-2-methyl-N-(5-methylsulfanylpentyl)benzamide
CID 104920100
N-(4-azidobutyl)-2-bromo-4-methylbenzamide
CID 106386313
2-bromo-N-[3-(methanesulfonamido)propyl]-4-methylbenzamide
CID 113337803
4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide
CID 104920099
5-[(2-bromo-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 113440669
2-bromo-N-hexyl-5-methylbenzamide
CID 80980200
2-bromo-N-(6-hydroxyhexyl)-5-methylbenzamide
CID 103918853
2-bromo-N-(6-chlorohexyl)-5-methylbenzamide
CID 107846583
2-bromo-N-(2-methylsulfanylethyl)benzamide
CID 51889373
N-(4-aminobutyl)-2-bromo-5-methylbenzamide
CID 81109723
N-(5-bromopentyl)-2,4-dimethylbenzamide
CID 107321862

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methyl-N-(5-methylsulfanylpentyl)benzamide?
The IUPAC name of 2-bromo-4-methyl-N-(5-methylsulfanylpentyl)benzamide (CID 104920154) is 2-bromo-4-methyl-N-(5-methylsulfanylpentyl)benzamide.
What is the SMILES notation for 2-bromo-4-methyl-N-(5-methylsulfanylpentyl)benzamide?
The canonical SMILES for 2-bromo-4-methyl-N-(5-methylsulfanylpentyl)benzamide is CSCCCCCNC(=O)c1ccc(C)cc1Br.
What is the InChIKey of 2-bromo-4-methyl-N-(5-methylsulfanylpentyl)benzamide?
The InChIKey is BBBSLUNGHWVQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c1-11-6-7-12(13(15)10-11)14(17)16-8-4-3-5-9-18-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-bromo-4-methyl-N-(5-methylsulfanylpentyl)benzamide?
2-bromo-4-methyl-N-(5-methylsulfanylpentyl)benzamide has a molecular weight of 330.29 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methyl-N-(5-methylsulfanylpentyl)benzamide is sourced from PubChem (CID 104920154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).