N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethylsulfanyl)benzamide

C18H19F3N2OS — CID 9069473

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethylsulfanyl)benzamide
SMILESCN(C)Cc1ccccc1CNC(=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2OS/c1-23(2)12-15-6-4-3-5-14(15)11-22-17(24)13-7-9-16(10-8-13)25-18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeyYYMOBKKDTAZRDS-UHFFFAOYSA-N
MW368.42 g/mol
LogP4.29
Rot. Bonds6

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethylsulfanyl)benzamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 9069473) has the molecular formula C18H19F3N2OS and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethylsulfanyl)benzamide
PubChem CID9069473
Molecular FormulaC18H19F3N2OS
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethylsulfanyl)benzamide
SMILESCN(C)Cc1ccccc1CNC(=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2OS/c1-23(2)12-15-6-4-3-5-14(15)11-22-17(24)13-7-9-16(10-8-13)25-18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24)
InChIKeyYYMOBKKDTAZRDS-UHFFFAOYSA-N
XLogP4.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylsulfamoyl)benzamide
CID 24550322
N-(cyclopropen-1-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 158445206
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 60787998
N-(2-phenylethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 24654315
N-[2-(ethylamino)-2-oxoethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 18145802
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 17397618
N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide
CID 19811110
1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 24550296
4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 17460581
4-acetyl-N-[[2-(hydroxymethyl)phenyl]methyl]benzamide
CID 111115313
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide
CID 55104517
N-[2-[2-[(dimethylamino)methyl]phenyl]ethyl]benzamide;hydrochloride
CID 173361765

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethylsulfanyl)benzamide (CID 9069473) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethylsulfanyl)benzamide is CN(C)Cc1ccccc1CNC(=O)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is YYMOBKKDTAZRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2OS/c1-23(2)12-15-6-4-3-5-14(15)11-22-17(24)13-7-9-16(10-8-13)25-18(19,20)21/h3-10H,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethylsulfanyl)benzamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 368.42 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 9069473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).