N,2-dimethyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide

C12H13F3N2O2S — CID 47029177

IUPACN,2-dimethyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)CSC(F)(F)F)c1C
InChIInChI=1S/C12H13F3N2O2S/c1-7-8(11(19)16-2)4-3-5-9(7)17-10(18)6-20-12(13,14)15/h3-5H,6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyKUXJPOUKXTVNIA-UHFFFAOYSA-N
MW306.31 g/mol
LogP2.55
Rot. Bonds4

About N,2-dimethyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide

N,2-dimethyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide (PubChem CID 47029177) has the molecular formula C12H13F3N2O2S and a molecular weight of 306.31 g/mol. Its IUPAC name is N,2-dimethyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide
PubChem CID47029177
Molecular FormulaC12H13F3N2O2S
Molecular Weight306.31 g/mol
Exact Mass306.06
IUPAC NameN,2-dimethyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide
SMILESCNC(=O)c1cccc(NC(=O)CSC(F)(F)F)c1C
InChIInChI=1S/C12H13F3N2O2S/c1-7-8(11(19)16-2)4-3-5-9(7)17-10(18)6-20-12(13,14)15/h3-5H,6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyKUXJPOUKXTVNIA-UHFFFAOYSA-N
XLogP2.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide
CID 55668082
3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide
CID 79204866
6-[2-methyl-3-(methylcarbamoyl)anilino]-6-oxohexanoic acid
CID 60940913
2-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethoxy]acetic acid
CID 61329614
3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide
CID 62835659
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,2-dimethylbenzamide
CID 115431926
N-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]benzamide
CID 78957981
2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate
CID 79346622
3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide
CID 46434201
3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide
CID 54996136
3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide
CID 46461694
3-[(3-chloro-2-methylpropanoyl)amino]-N,2-dimethylbenzamide
CID 55110621

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide?
The IUPAC name of N,2-dimethyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide (CID 47029177) is N,2-dimethyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide.
What is the SMILES notation for N,2-dimethyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide?
The canonical SMILES for N,2-dimethyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide is CNC(=O)c1cccc(NC(=O)CSC(F)(F)F)c1C.
What is the InChIKey of N,2-dimethyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide?
The InChIKey is KUXJPOUKXTVNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2S/c1-7-8(11(19)16-2)4-3-5-9(7)17-10(18)6-20-12(13,14)15/h3-5H,6H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of N,2-dimethyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide?
N,2-dimethyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide has a molecular weight of 306.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide is sourced from PubChem (CID 47029177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).