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

C14H20BrNOS — CID 104920100

IUPAC5-bromo-2-methyl-N-(5-methylsulfanylpentyl)benzamide
SMILESCSCCCCCNC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C14H20BrNOS/c1-11-6-7-12(15)10-13(11)14(17)16-8-4-3-5-9-18-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyLBTIJTQRLGNYMN-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.02
Rot. Bonds7

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

5-bromo-2-methyl-N-(5-methylsulfanylpentyl)benzamide (PubChem CID 104920100) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(5-methylsulfanylpentyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(5-methylsulfanylpentyl)benzamide
PubChem CID104920100
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC Name5-bromo-2-methyl-N-(5-methylsulfanylpentyl)benzamide
SMILESCSCCCCCNC(=O)c1cc(Br)ccc1C
InChIInChI=1S/C14H20BrNOS/c1-11-6-7-12(15)10-13(11)14(17)16-8-4-3-5-9-18-2/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
InChIKeyLBTIJTQRLGNYMN-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

5-bromo-N-(5-chloropentyl)-2-methylbenzamide
CID 107321142
5-[(5-bromo-2-methylbenzoyl)amino]pentanoic acid
CID 65308128
2-bromo-4-methyl-N-(5-methylsulfanylpentyl)benzamide
CID 104920154
5-bromo-N-(4-cyanobutyl)-2-methylbenzamide
CID 65307660
4-fluoro-2-methyl-N-(5-methylsulfanylpentyl)benzamide
CID 104920099
4-bromo-2-methoxy-N-(3-methylsulfanylpropyl)benzamide
CID 78994367
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500891
4-bromo-N-(6-bromohexyl)-2-methylbenzamide
CID 107847484
4-bromo-N-(3-methylsulfanylpropyl)benzamide
CID 63959814
5-bromo-N-[8-[(5-bromo-2-methoxybenzoyl)amino]octyl]-2-methoxybenzamide
CID 17233433
2-fluoro-N-(5-methylsulfanylpentyl)benzamide
CID 104920148
5-bromo-2-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 65309624

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(5-methylsulfanylpentyl)benzamide?
The IUPAC name of 5-bromo-2-methyl-N-(5-methylsulfanylpentyl)benzamide (CID 104920100) is 5-bromo-2-methyl-N-(5-methylsulfanylpentyl)benzamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(5-methylsulfanylpentyl)benzamide?
The canonical SMILES for 5-bromo-2-methyl-N-(5-methylsulfanylpentyl)benzamide is CSCCCCCNC(=O)c1cc(Br)ccc1C.
What is the InChIKey of 5-bromo-2-methyl-N-(5-methylsulfanylpentyl)benzamide?
The InChIKey is LBTIJTQRLGNYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c1-11-6-7-12(15)10-13(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 5-bromo-2-methyl-N-(5-methylsulfanylpentyl)benzamide?
5-bromo-2-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 5-bromo-2-methyl-N-(5-methylsulfanylpentyl)benzamide is sourced from PubChem (CID 104920100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).