4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide

C13H19BrN2OS — CID 112659238

IUPAC4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)N(C)C(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C13H19BrN2OS/c1-4-10(8-18-3)16(2)13(17)9-5-6-12(15)11(14)7-9/h5-7,10H,4,8,15H2,1-3H3
InChIKeyIWWOZCXLIICDAI-UHFFFAOYSA-N
MW331.28 g/mol
LogP3.24
Rot. Bonds5

About 4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide

4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide (PubChem CID 112659238) has the molecular formula C13H19BrN2OS and a molecular weight of 331.28 g/mol. Its IUPAC name is 4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
PubChem CID112659238
Molecular FormulaC13H19BrN2OS
Molecular Weight331.28 g/mol
Exact Mass330.04
IUPAC Name4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
SMILESCCC(CSC)N(C)C(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C13H19BrN2OS/c1-4-10(8-18-3)16(2)13(17)9-5-6-12(15)11(14)7-9/h5-7,10H,4,8,15H2,1-3H3
InChIKeyIWWOZCXLIICDAI-UHFFFAOYSA-N
XLogP3.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-3-bromo-N-methyl-N-(1-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

3-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112656391
4-bromo-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551619
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 112664138
5-amino-N,2,4-trimethyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 102705866
4-carbamothioyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112659645
N-methyl-N-(1-methylsulfanylbutan-2-yl)-4-sulfanylbenzamide
CID 107034211
3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 79466930
2-amino-N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-(trifluoromethyl)benzamide
CID 115987269
3-bromo-5-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 103909933
N-methyl-N-(1-methylsulfanylbutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 112659261
2-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 112551572
2-amino-5-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 114194010

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The IUPAC name of 4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide (CID 112659238) is 4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide.
What is the SMILES notation for 4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The canonical SMILES for 4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide is CCC(CSC)N(C)C(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of 4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
The InChIKey is IWWOZCXLIICDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS/c1-4-10(8-18-3)16(2)13(17)9-5-6-12(15)11(14)7-9/h5-7,10H,4,8,15H2,1-3H3.
What are the key properties of 4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide?
4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide has a molecular weight of 331.28 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide is sourced from PubChem (CID 112659238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).