4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide

C12H16BrNOS — CID 115636139

IUPAC4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide
SMILESCSCCC(C)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNOS/c1-9(7-8-16-2)14-12(15)10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyWXFGIPLVGJSBPO-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.32
Rot. Bonds5

About 4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide

4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide (PubChem CID 115636139) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is 4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide
PubChem CID115636139
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC Name4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide
SMILESCSCCC(C)NC(=O)c1ccc(Br)cc1
InChIInChI=1S/C12H16BrNOS/c1-9(7-8-16-2)14-12(15)10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15)
InChIKeyWXFGIPLVGJSBPO-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylsulfanylbutan-2-yl)-4-propan-2-ylsulfinylbenzamide
CID 71991015
4-bromo-N-(1-ethylsulfanylpropan-2-yl)benzamide
CID 115662215
4-bromo-N-heptan-2-ylbenzamide
CID 3735409
(2R)-2-(4-bromophenyl)-2-hydroxy-N-[(2S)-4-methylsulfanylbutan-2-yl]acetamide
CID 97250851
(2S)-2-(4-bromophenyl)-2-hydroxy-N-[(2S)-4-methylsulfanylbutan-2-yl]acetamide
CID 97250853
methyl (3R)-3-[(4-bromobenzoyl)amino]butanoate
CID 25139378
4-bromo-2,6-difluoro-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 75378516
[2-(4-bromophenyl)-2-oxoethyl] (2S)-2-benzamido-4-methylsulfanylbutanoate
CID 40882862
4-[[(4-bromobenzoyl)amino]methyl]-N-butan-2-ylbenzamide
CID 4278402
3-amino-5-bromo-2-methyl-N-(4-methylsulfanylbutan-2-yl)benzamide
CID 114011389
4-bromo-N-(3-methylsulfanylpropyl)benzamide
CID 63959814
4-bromo-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 40522020

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide?
The IUPAC name of 4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide (CID 115636139) is 4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide is CSCCC(C)NC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide?
The InChIKey is WXFGIPLVGJSBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c1-9(7-8-16-2)14-12(15)10-3-5-11(13)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide?
4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide has a molecular weight of 302.24 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-methylsulfanylbutan-2-yl)benzamide is sourced from PubChem (CID 115636139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).