N-(2-phenylethyl)-4-(trifluoromethylsulfanyl)benzamide

C16H14F3NOS — CID 24654315

IUPACN-(2-phenylethyl)-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C16H14F3NOS/c17-16(18,19)22-14-8-6-13(7-9-14)15(21)20-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,21)
InChIKeyBRVSCGVYQRDPLN-UHFFFAOYSA-N
MW325.36 g/mol
LogP4.27
Rot. Bonds5

About N-(2-phenylethyl)-4-(trifluoromethylsulfanyl)benzamide

N-(2-phenylethyl)-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 24654315) has the molecular formula C16H14F3NOS and a molecular weight of 325.36 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-(trifluoromethylsulfanyl)benzamide
PubChem CID24654315
Molecular FormulaC16H14F3NOS
Molecular Weight325.36 g/mol
Exact Mass325.07
IUPAC NameN-(2-phenylethyl)-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C16H14F3NOS/c17-16(18,19)22-14-8-6-13(7-9-14)15(21)20-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,21)
InChIKeyBRVSCGVYQRDPLN-UHFFFAOYSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
N-(2-acetamidoethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 30598296
[difluoro-[4-(2-phenylethylcarbamoyl)phenyl]methyl]phosphonic acid
CID 46878793
4-iodo-N-(2-phenylethyl)benzamide
CID 1348743
1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide
CID 91489702
4-ethyl-N-(2-phenylethyl)benzamide
CID 11841446
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 55893443
4-formyl-N-(2-phenylethyl)benzamide
CID 12773386
4-N-(2,6-difluorophenyl)-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
CID 109047887
N-(3-phenylpropyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 91126455
N-(cyclopropen-1-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 158445206
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-(trifluoromethylsulfanyl)benzamide
CID 80712294

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-(2-phenylethyl)-4-(trifluoromethylsulfanyl)benzamide (CID 24654315) is N-(2-phenylethyl)-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(2-phenylethyl)-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(2-phenylethyl)-4-(trifluoromethylsulfanyl)benzamide is O=C(NCCc1ccccc1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-(2-phenylethyl)-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is BRVSCGVYQRDPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NOS/c17-16(18,19)22-14-8-6-13(7-9-14)15(21)20-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,21).
What are the key properties of N-(2-phenylethyl)-4-(trifluoromethylsulfanyl)benzamide?
N-(2-phenylethyl)-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 325.36 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 24654315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).