N-[3-[(7-cyano-1,3-benzothiazol-6-yl)oxy]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C23H14F3N3O2S — CID 141270586

IUPACN-[3-[(7-cyano-1,3-benzothiazol-6-yl)oxy]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESN#Cc1c(Oc2cccc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)ccc2ncsc12
InChIInChI=1S/C23H14F3N3O2S/c24-23(25,26)15-4-1-3-14(9-15)10-21(30)29-16-5-2-6-17(11-16)31-20-8-7-19-22(18(20)12-27)32-13-28-19/h1-9,11,13H,10H2,(H,29,30)
InChIKeyGPOXHQRVRBTNCM-UHFFFAOYSA-N
MW453.45 g/mol
LogP6.16
Rot. Bonds5

About N-[3-[(7-cyano-1,3-benzothiazol-6-yl)oxy]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[3-[(7-cyano-1,3-benzothiazol-6-yl)oxy]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 141270586) has the molecular formula C23H14F3N3O2S and a molecular weight of 453.45 g/mol. Its IUPAC name is N-[3-[(7-cyano-1,3-benzothiazol-6-yl)oxy]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(7-cyano-1,3-benzothiazol-6-yl)oxy]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID141270586
Molecular FormulaC23H14F3N3O2S
Molecular Weight453.45 g/mol
Exact Mass453.08
IUPAC NameN-[3-[(7-cyano-1,3-benzothiazol-6-yl)oxy]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESN#Cc1c(Oc2cccc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)ccc2ncsc12
InChIInChI=1S/C23H14F3N3O2S/c24-23(25,26)15-4-1-3-14(9-15)10-21(30)29-16-5-2-6-17(11-16)31-20-8-7-19-22(18(20)12-27)32-13-28-19/h1-9,11,13H,10H2,(H,29,30)
InChIKeyGPOXHQRVRBTNCM-UHFFFAOYSA-N
XLogP6.16
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.45
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[(7-cyano-1,3-benzothiazol-6-yl)oxy]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

N-[5-[[7-cyano-2-(methylamino)-1,3-benzothiazol-6-yl]oxy]-2-fluorophenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 145112384
N-(3-pyrimidin-2-yloxyphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 39261092
3-[[1-[5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]-2-pyridinyl]piperidin-4-yl]methoxy]benzoic acid
CID 56838868
[2-(3-cyanoanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 2338285
N-(2-ethoxypyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122302066
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 11653462
N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 7934876
N-(4-anilinophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 161345978
N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34280640
3-[2-oxo-2-(3-pyridin-2-yloxyanilino)ethyl]benzoic acid
CID 146128887
N-[4-methoxy-3-(4-methoxyphenyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8744983
3-cyano-4-hydroxy-N-[(E)-[2-methoxy-4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]methylideneamino]benzamide
CID 11081564

Frequently Asked Questions

What is the IUPAC name of N-[3-[(7-cyano-1,3-benzothiazol-6-yl)oxy]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-[(7-cyano-1,3-benzothiazol-6-yl)oxy]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 141270586) is N-[3-[(7-cyano-1,3-benzothiazol-6-yl)oxy]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-[(7-cyano-1,3-benzothiazol-6-yl)oxy]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-[(7-cyano-1,3-benzothiazol-6-yl)oxy]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is N#Cc1c(Oc2cccc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)ccc2ncsc12.
What is the InChIKey of N-[3-[(7-cyano-1,3-benzothiazol-6-yl)oxy]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GPOXHQRVRBTNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3N3O2S/c24-23(25,26)15-4-1-3-14(9-15)10-21(30)29-16-5-2-6-17(11-16)31-20-8-7-19-22(18(20)12-27)32-13-28-19/h1-9,11,13H,10H2,(H,29,30).
What are the key properties of N-[3-[(7-cyano-1,3-benzothiazol-6-yl)oxy]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[3-[(7-cyano-1,3-benzothiazol-6-yl)oxy]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 453.45 g/mol, XLogP of 6.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(7-cyano-1,3-benzothiazol-6-yl)oxy]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 141270586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).