2-bromo-3-methyl-N-(2-methylsulfanylpropyl)benzamide

C12H16BrNOS — CID 103855530

IUPAC2-bromo-3-methyl-N-(2-methylsulfanylpropyl)benzamide
SMILESCSC(C)CNC(=O)c1cccc(C)c1Br
InChIInChI=1S/C12H16BrNOS/c1-8-5-4-6-10(11(8)13)12(15)14-7-9(2)16-3/h4-6,9H,7H2,1-3H3,(H,14,15)
InChIKeyOHGDMFSAGGUTDW-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.24
Rot. Bonds4

About 2-bromo-3-methyl-N-(2-methylsulfanylpropyl)benzamide

2-bromo-3-methyl-N-(2-methylsulfanylpropyl)benzamide (PubChem CID 103855530) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(2-methylsulfanylpropyl)benzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(2-methylsulfanylpropyl)benzamide
PubChem CID103855530
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC Name2-bromo-3-methyl-N-(2-methylsulfanylpropyl)benzamide
SMILESCSC(C)CNC(=O)c1cccc(C)c1Br
InChIInChI=1S/C12H16BrNOS/c1-8-5-4-6-10(11(8)13)12(15)14-7-9(2)16-3/h4-6,9H,7H2,1-3H3,(H,14,15)
InChIKeyOHGDMFSAGGUTDW-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(3-chloro-2-methylpropyl)-3-methylbenzamide
CID 107983962
2-bromo-N-(2-cyclopropylpropyl)-3-methylbenzamide
CID 103853537
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-2-bromo-3-methylbenzamide
CID 114023824
2-bromo-N-[2-(dimethylamino)-4-methylpentyl]-3-methylbenzamide
CID 103854605
2-bromo-N-(2-bromo-2-cyclopropylethyl)-3-methylbenzamide
CID 107983998
2-bromo-N-(2-bromo-4,4-dimethylpentyl)-3-methylbenzamide
CID 107984077
2-[(2-bromo-3-methylbenzoyl)amino]acetic acid
CID 106703070
2-bromo-N-(4-chloro-2-ethylbutyl)-3-methylbenzamide
CID 107983971
2-bromo-N-[(2S)-3-hydroxy-2-phenylpropyl]-3-methylbenzamide
CID 124572255
4-[(2-bromo-3-methylbenzoyl)amino]-2-methylbutanoic acid
CID 114023739
2-bromo-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 113338730
2-methyl-N-(2-methylsulfanylpropyl)-5-sulfanylbenzamide
CID 107035141

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(2-methylsulfanylpropyl)benzamide?
The IUPAC name of 2-bromo-3-methyl-N-(2-methylsulfanylpropyl)benzamide (CID 103855530) is 2-bromo-3-methyl-N-(2-methylsulfanylpropyl)benzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(2-methylsulfanylpropyl)benzamide?
The canonical SMILES for 2-bromo-3-methyl-N-(2-methylsulfanylpropyl)benzamide is CSC(C)CNC(=O)c1cccc(C)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-(2-methylsulfanylpropyl)benzamide?
The InChIKey is OHGDMFSAGGUTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c1-8-5-4-6-10(11(8)13)12(15)14-7-9(2)16-3/h4-6,9H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-bromo-3-methyl-N-(2-methylsulfanylpropyl)benzamide?
2-bromo-3-methyl-N-(2-methylsulfanylpropyl)benzamide has a molecular weight of 302.24 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-(2-methylsulfanylpropyl)benzamide is sourced from PubChem (CID 103855530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).