N-(5-acetamido-2-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide

C17H15F3N2O3S — CID 26705416

IUPACN-(5-acetamido-2-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2O3S/c1-10(23)21-12-5-8-15(25-2)14(9-12)22-16(24)11-3-6-13(7-4-11)26-17(18,19)20/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyCMUMEKHJUDEYPY-UHFFFAOYSA-N
MW384.38 g/mol
LogP4.52
Rot. Bonds5

About N-(5-acetamido-2-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide

N-(5-acetamido-2-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 26705416) has the molecular formula C17H15F3N2O3S and a molecular weight of 384.38 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide
PubChem CID26705416
Molecular FormulaC17H15F3N2O3S
Molecular Weight384.38 g/mol
Exact Mass384.08
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C17H15F3N2O3S/c1-10(23)21-12-5-8-15(25-2)14(9-12)22-16(24)11-3-6-13(7-4-11)26-17(18,19)20/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyCMUMEKHJUDEYPY-UHFFFAOYSA-N
XLogP4.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.38
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide
CID 24666765
N-(5-acetamido-2-methoxyphenyl)-4-cyanobenzamide
CID 2450406
3-acetamido-N-(5-tert-butyl-2-methoxyphenyl)benzamide
CID 167854424
methyl 2-[[4-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzoyl]amino]acetate
CID 46636688
N-(2-acetamido-5-bromophenyl)-4-(trifluoromethylsulfanyl)benzamide
CID 52851677
N-[4-methoxy-3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
CID 72854483
N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 35347425
N-(3-acetamido-4-methoxyphenyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 46543736
N-(3-acetamido-4-methoxyphenyl)-4-butylbenzamide
CID 24666778
N-[4-[(5-acetamido-2-methoxyphenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121079968
N-(5-acetamido-2-methoxyphenyl)-4-chloro-3-nitrobenzamide
CID 26243257
3-fluoro-N-[4-methoxy-3-[(4-methoxybenzoyl)amino]phenyl]-4-methylbenzamide
CID 46323189

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide (CID 26705416) is N-(5-acetamido-2-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide is COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is CMUMEKHJUDEYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3S/c1-10(23)21-12-5-8-15(25-2)14(9-12)22-16(24)11-3-6-13(7-4-11)26-17(18,19)20/h3-9H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide?
N-(5-acetamido-2-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 384.38 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 26705416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).