N-(2-amino-2-oxoethyl)-2-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide

C26H21F3N2O2S — CID 59193881

IUPACN-(2-amino-2-oxoethyl)-2-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide
SMILESCc1c(C(=O)NCC(N)=O)cccc1-c1cccc2cc(Cc3cccc(C(F)(F)F)c3)sc12
InChIInChI=1S/C26H21F3N2O2S/c1-15-20(8-4-9-21(15)25(33)31-14-23(30)32)22-10-3-6-17-13-19(34-24(17)22)12-16-5-2-7-18(11-16)26(27,28)29/h2-11,13H,12,14H2,1H3,(H2,30,32)(H,31,33)
InChIKeyZNPULSXJUOPSPD-UHFFFAOYSA-N
MW482.53 g/mol
LogP5.70
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-2-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide

N-(2-amino-2-oxoethyl)-2-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide (PubChem CID 59193881) has the molecular formula C26H21F3N2O2S and a molecular weight of 482.53 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide
PubChem CID59193881
Molecular FormulaC26H21F3N2O2S
Molecular Weight482.53 g/mol
Exact Mass482.13
IUPAC NameN-(2-amino-2-oxoethyl)-2-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide
SMILESCc1c(C(=O)NCC(N)=O)cccc1-c1cccc2cc(Cc3cccc(C(F)(F)F)c3)sc12
InChIInChI=1S/C26H21F3N2O2S/c1-15-20(8-4-9-21(15)25(33)31-14-23(30)32)22-10-3-6-17-13-19(34-24(17)22)12-16-5-2-7-18(11-16)26(27,28)29/h2-11,13H,12,14H2,1H3,(H2,30,32)(H,31,33)
InChIKeyZNPULSXJUOPSPD-UHFFFAOYSA-N
XLogP5.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.53
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-oxoethyl)-2-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[[3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzoyl]amino]acetate
CID 59193803
N-(2-aminoprop-2-enyl)-6-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyridine-3-carboxamide
CID 70237678
2-fluoro-N-(2-methoxyethyl)-5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide
CID 59193851
N-(2-hydroxyethyl)-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide
CID 59194084
2-[[4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzoyl]amino]ethyl 4-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzoate
CID 87302052
3-[5-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzoic acid
CID 68546644
ethyl 1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]imidazole-4-carboxylate
CID 70922437
[6-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl] trifluoromethanesulfonate
CID 86639192
3-propan-2-yl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxylic acid
CID 70922417
2-(methylamino)acetamide;2-[3-(trifluoromethyl)phenyl]acetaldehyde
CID 143453509
2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 141132168
ethyl 3-[4-fluoro-2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzoate
CID 67184725

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide (CID 59193881) is N-(2-amino-2-oxoethyl)-2-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide is Cc1c(C(=O)NCC(N)=O)cccc1-c1cccc2cc(Cc3cccc(C(F)(F)F)c3)sc12.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide?
The InChIKey is ZNPULSXJUOPSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O2S/c1-15-20(8-4-9-21(15)25(33)31-14-23(30)32)22-10-3-6-17-13-19(34-24(17)22)12-16-5-2-7-18(11-16)26(27,28)29/h2-11,13H,12,14H2,1H3,(H2,30,32)(H,31,33).
What are the key properties of N-(2-amino-2-oxoethyl)-2-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide?
N-(2-amino-2-oxoethyl)-2-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide has a molecular weight of 482.53 g/mol, XLogP of 5.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]benzamide is sourced from PubChem (CID 59193881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).