N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide

C19H19F3N2O4S — CID 46440370

IUPACN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide
SMILESCCN(Cc1cccc(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1)C(C)=O
InChIInChI=1S/C19H19F3N2O4S/c1-3-24(13(2)25)12-14-5-4-6-16(11-14)23-18(26)15-7-9-17(10-8-15)29(27,28)19(20,21)22/h4-11H,3,12H2,1-2H3,(H,23,26)
InChIKeyKLXXQYOYDTWFMV-UHFFFAOYSA-N
MW428.43 g/mol
LogP3.60
Rot. Bonds6

About N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide (PubChem CID 46440370) has the molecular formula C19H19F3N2O4S and a molecular weight of 428.43 g/mol. Its IUPAC name is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide
PubChem CID46440370
Molecular FormulaC19H19F3N2O4S
Molecular Weight428.43 g/mol
Exact Mass428.10
IUPAC NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide
SMILESCCN(Cc1cccc(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1)C(C)=O
InChIInChI=1S/C19H19F3N2O4S/c1-3-24(13(2)25)12-14-5-4-6-16(11-14)23-18(26)15-7-9-17(10-8-15)29(27,28)19(20,21)22/h4-11H,3,12H2,1-2H3,(H,23,26)
InChIKeyKLXXQYOYDTWFMV-UHFFFAOYSA-N
XLogP3.60
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 34338889
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide
CID 38810181
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 38807472
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43072127
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-4-methylsulfonylbenzamide
CID 38585176
N-[1-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
CID 55655480
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-anilino-3-nitrobenzamide
CID 38809102
4-N,4-N-diethyl-1-N-[3-(hydroxymethyl)phenyl]benzene-1,4-dicarboxamide
CID 111104838
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55655520
N-ethyl-N-[[3-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]methyl]acetamide
CID 78894846
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide
CID 43068696
N-(3-ethylphenyl)-4-methylsulfonylbenzamide
CID 26880057

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide (CID 46440370) is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide is CCN(Cc1cccc(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1)C(C)=O.
What is the InChIKey of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide?
The InChIKey is KLXXQYOYDTWFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4S/c1-3-24(13(2)25)12-14-5-4-6-16(11-14)23-18(26)15-7-9-17(10-8-15)29(27,28)19(20,21)22/h4-11H,3,12H2,1-2H3,(H,23,26).
What are the key properties of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide?
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide has a molecular weight of 428.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 46440370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).