2-amino-4-bromo-N-methyl-N-(2-methylsulfanylethyl)benzamide

C11H15BrN2OS — CID 112658891

IUPAC2-amino-4-bromo-N-methyl-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCN(C)C(=O)c1ccc(Br)cc1N
InChIInChI=1S/C11H15BrN2OS/c1-14(5-6-16-2)11(15)9-4-3-8(12)7-10(9)13/h3-4,7H,5-6,13H2,1-2H3
InChIKeyXSYSDKYLHVWIER-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.47
Rot. Bonds4

About 2-amino-4-bromo-N-methyl-N-(2-methylsulfanylethyl)benzamide

2-amino-4-bromo-N-methyl-N-(2-methylsulfanylethyl)benzamide (PubChem CID 112658891) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is 2-amino-4-bromo-N-methyl-N-(2-methylsulfanylethyl)benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-methyl-N-(2-methylsulfanylethyl)benzamide
PubChem CID112658891
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name2-amino-4-bromo-N-methyl-N-(2-methylsulfanylethyl)benzamide
SMILESCSCCN(C)C(=O)c1ccc(Br)cc1N
InChIInChI=1S/C11H15BrN2OS/c1-14(5-6-16-2)11(15)9-4-3-8(12)7-10(9)13/h3-4,7H,5-6,13H2,1-2H3
InChIKeyXSYSDKYLHVWIER-UHFFFAOYSA-N
XLogP2.47
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N,N-dimethylbenzamide
CID 79714600
4-amino-N,3-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112656332
2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 79714273
4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide
CID 55228118
2-fluoro-N,4-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112698004
3,5-diamino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656301
4-amino-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656326
4-bromo-N-methyl-N-propyl-2-sulfanylbenzamide
CID 107022449
2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide
CID 79714357
3-amino-4-(dimethylamino)-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112656319
2-amino-4-bromo-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 120994241
2-amino-4-bromo-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 79723302

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The IUPAC name of 2-amino-4-bromo-N-methyl-N-(2-methylsulfanylethyl)benzamide (CID 112658891) is 2-amino-4-bromo-N-methyl-N-(2-methylsulfanylethyl)benzamide.
What is the SMILES notation for 2-amino-4-bromo-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The canonical SMILES for 2-amino-4-bromo-N-methyl-N-(2-methylsulfanylethyl)benzamide is CSCCN(C)C(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-methyl-N-(2-methylsulfanylethyl)benzamide?
The InChIKey is XSYSDKYLHVWIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c1-14(5-6-16-2)11(15)9-4-3-8(12)7-10(9)13/h3-4,7H,5-6,13H2,1-2H3.
What are the key properties of 2-amino-4-bromo-N-methyl-N-(2-methylsulfanylethyl)benzamide?
2-amino-4-bromo-N-methyl-N-(2-methylsulfanylethyl)benzamide has a molecular weight of 303.23 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-methyl-N-(2-methylsulfanylethyl)benzamide is sourced from PubChem (CID 112658891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).