3-amino-4-(dimethylamino)-N-(4-methylsulfanylphenyl)benzamide

C16H19N3OS — CID 61092127

IUPAC3-amino-4-(dimethylamino)-N-(4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(NC(=O)c2ccc(N(C)C)c(N)c2)cc1
InChIInChI=1S/C16H19N3OS/c1-19(2)15-9-4-11(10-14(15)17)16(20)18-12-5-7-13(21-3)8-6-12/h4-10H,17H2,1-3H3,(H,18,20)
InChIKeyFGZJLUFQGPUGGS-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.31
Rot. Bonds4

About 3-amino-4-(dimethylamino)-N-(4-methylsulfanylphenyl)benzamide

3-amino-4-(dimethylamino)-N-(4-methylsulfanylphenyl)benzamide (PubChem CID 61092127) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-(4-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-(4-methylsulfanylphenyl)benzamide
PubChem CID61092127
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name3-amino-4-(dimethylamino)-N-(4-methylsulfanylphenyl)benzamide
SMILESCSc1ccc(NC(=O)c2ccc(N(C)C)c(N)c2)cc1
InChIInChI=1S/C16H19N3OS/c1-19(2)15-9-4-11(10-14(15)17)16(20)18-12-5-7-13(21-3)8-6-12/h4-10H,17H2,1-3H3,(H,18,20)
InChIKeyFGZJLUFQGPUGGS-UHFFFAOYSA-N
XLogP3.31
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 61090939
3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride
CID 50851045
3-amino-4-(dimethylamino)-N-(3,5-dimethylphenyl)benzamide
CID 61091528
3-amino-4-(dimethylamino)-N-(3-fluoro-5-methylphenyl)benzamide
CID 79041488
3,4-difluoro-N-(4-methylsulfanylphenyl)benzamide
CID 9153618
N-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide
CID 78984406
4-bromo-3-fluoro-N-(4-methylsulfanylphenyl)benzamide
CID 47421930
N-(4-iodophenyl)-4-methylsulfanylbenzamide
CID 8571979
3-amino-N-(2-bromo-6-fluorophenyl)-4-(dimethylamino)benzamide
CID 107596229
3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide
CID 61090837
3-amino-4-(dimethylamino)-N-(1-methylpyrazol-3-yl)benzamide
CID 61104637
3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide
CID 63188297

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-(4-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-(4-methylsulfanylphenyl)benzamide (CID 61092127) is 3-amino-4-(dimethylamino)-N-(4-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-(4-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-(4-methylsulfanylphenyl)benzamide is CSc1ccc(NC(=O)c2ccc(N(C)C)c(N)c2)cc1.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-(4-methylsulfanylphenyl)benzamide?
The InChIKey is FGZJLUFQGPUGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-19(2)15-9-4-11(10-14(15)17)16(20)18-12-5-7-13(21-3)8-6-12/h4-10H,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-4-(dimethylamino)-N-(4-methylsulfanylphenyl)benzamide?
3-amino-4-(dimethylamino)-N-(4-methylsulfanylphenyl)benzamide has a molecular weight of 301.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N-(4-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 61092127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).