4-amino-N-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]benzamide

C11H14F3N3OS — CID 106426373

IUPAC4-amino-N-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]benzamide
SMILESCNC(=O)c1ccc(N)c(NCCSC(F)(F)F)c1
InChIInChI=1S/C11H14F3N3OS/c1-16-10(18)7-2-3-8(15)9(6-7)17-4-5-19-11(12,13)14/h2-3,6,17H,4-5,15H2,1H3,(H,16,18)
InChIKeyJWCOUHLLUIVVRX-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.29
Rot. Bonds5

About 4-amino-N-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]benzamide

4-amino-N-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]benzamide (PubChem CID 106426373) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is 4-amino-N-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]benzamide
PubChem CID106426373
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC Name4-amino-N-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]benzamide
SMILESCNC(=O)c1ccc(N)c(NCCSC(F)(F)F)c1
InChIInChI=1S/C11H14F3N3OS/c1-16-10(18)7-2-3-8(15)9(6-7)17-4-5-19-11(12,13)14/h2-3,6,17H,4-5,15H2,1H3,(H,16,18)
InChIKeyJWCOUHLLUIVVRX-UHFFFAOYSA-N
XLogP2.29
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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4-amino-N-methyl-3-(3-propoxypropylamino)benzamide
CID 82940087
4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide
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4-amino-N-methyl-3-(2-methylpentan-2-ylamino)benzamide
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1-[2-amino-5-[2-(trifluoromethylsulfanyl)ethylamino]phenyl]ethanone
CID 114187363
4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231465
3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide
CID 83000366
4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide
CID 63357269
4-amino-N-methyl-3-(trifluoromethyl)benzamide
CID 62156394
4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide
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CID 106103991

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]benzamide?
The IUPAC name of 4-amino-N-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]benzamide (CID 106426373) is 4-amino-N-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]benzamide.
What is the SMILES notation for 4-amino-N-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]benzamide?
The canonical SMILES for 4-amino-N-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]benzamide is CNC(=O)c1ccc(N)c(NCCSC(F)(F)F)c1.
What is the InChIKey of 4-amino-N-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]benzamide?
The InChIKey is JWCOUHLLUIVVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c1-16-10(18)7-2-3-8(15)9(6-7)17-4-5-19-11(12,13)14/h2-3,6,17H,4-5,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]benzamide?
4-amino-N-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]benzamide has a molecular weight of 293.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]benzamide is sourced from PubChem (CID 106426373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).