2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

C20H16F3NOS2 — CID 24533628

IUPAC2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1ccccc1SCc1cccs1
InChIInChI=1S/C20H16F3NOS2/c21-20(22,23)15-9-7-14(8-10-15)12-24-19(25)17-5-1-2-6-18(17)27-13-16-4-3-11-26-16/h1-11H,12-13H2,(H,24,25)
InChIKeyVKZOYVCTHBSPRS-UHFFFAOYSA-N
MW407.48 g/mol
LogP5.99
Rot. Bonds6

About 2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 24533628) has the molecular formula C20H16F3NOS2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID24533628
Molecular FormulaC20H16F3NOS2
Molecular Weight407.48 g/mol
Exact Mass407.06
IUPAC Name2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)c1ccccc1SCc1cccs1
InChIInChI=1S/C20H16F3NOS2/c21-20(22,23)15-9-7-14(8-10-15)12-24-19(25)17-5-1-2-6-18(17)27-13-16-4-3-11-26-16/h1-11H,12-13H2,(H,24,25)
InChIKeyVKZOYVCTHBSPRS-UHFFFAOYSA-N
XLogP5.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.48
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18283562
N-prop-2-enyl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9399909
N-[(2-methoxy-4-pyridinyl)methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 55530430
N-[2-(ethylamino)-2-oxoethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 9489372
N-[2-(ethylamino)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide;hydrochloride
CID 119506712
2-amino-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 60699275
N-butan-2-yl-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 43044656
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 18227464
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 46477730
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 24570162
N-[2-(4-chlorophenoxy)ethyl]-2-(thiophen-2-ylmethylsulfanyl)benzamide
CID 34732993
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 24533628) is 2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is O=C(NCc1ccc(C(F)(F)F)cc1)c1ccccc1SCc1cccs1.
What is the InChIKey of 2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is VKZOYVCTHBSPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NOS2/c21-20(22,23)15-9-7-14(8-10-15)12-24-19(25)17-5-1-2-6-18(17)27-13-16-4-3-11-26-16/h1-11H,12-13H2,(H,24,25).
What are the key properties of 2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 407.48 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 24533628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).