2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide

C13H18BrNOS — CID 112551572

IUPAC2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)N(C)C(=O)c1ccccc1Br
InChIInChI=1S/C13H18BrNOS/c1-4-10(9-17-3)15(2)13(16)11-7-5-6-8-12(11)14/h5-8,10H,4,9H2,1-3H3
InChIKeyIABSAEDDIXUOOW-UHFFFAOYSA-N
MW316.26 g/mol
LogP3.66
Rot. Bonds5

About 2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide

2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide (PubChem CID 112551572) has the molecular formula C13H18BrNOS and a molecular weight of 316.26 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
PubChem CID112551572
Molecular FormulaC13H18BrNOS
Molecular Weight316.26 g/mol
Exact Mass315.03
IUPAC Name2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)N(C)C(=O)c1ccccc1Br
InChIInChI=1S/C13H18BrNOS/c1-4-10(9-17-3)15(2)13(16)11-7-5-6-8-12(11)14/h5-8,10H,4,9H2,1-3H3
InChIKeyIABSAEDDIXUOOW-UHFFFAOYSA-N
XLogP3.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-methyl-N-pentan-3-ylbenzamide
CID 43571450
2-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]benzoic acid
CID 112657921
2,6-dihydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 107689562
4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659238
2-amino-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 114194010
4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551619
5-amino-N,2,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 102705866
2-hydroxy-5-iodo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 103526844
2-bromo-N-ethyl-N-methylbenzamide
CID 43243486
N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide
CID 107034211
2-bromo-N,5-dimethyl-N-pentan-3-ylbenzamide
CID 80979017
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(trifluoromethyl)benzamide
CID 115987269

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The IUPAC name of 2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide (CID 112551572) is 2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The canonical SMILES for 2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide is CCC(CSC)N(C)C(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The InChIKey is IABSAEDDIXUOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNOS/c1-4-10(9-17-3)15(2)13(16)11-7-5-6-8-12(11)14/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide has a molecular weight of 316.26 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide is sourced from PubChem (CID 112551572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).