2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C17H16F3NOS — CID 112777132

IUPAC2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSC(c1ccccc1)c1ccccc1)NCC(F)(F)F
InChIInChI=1S/C17H16F3NOS/c18-17(19,20)12-21-15(22)11-23-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,21,22)
InChIKeyHSYQPEUNOGDVNG-UHFFFAOYSA-N
MW339.38 g/mol
LogP4.19
Rot. Bonds6

About 2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide

2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 112777132) has the molecular formula C17H16F3NOS and a molecular weight of 339.38 g/mol. Its IUPAC name is 2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID112777132
Molecular FormulaC17H16F3NOS
Molecular Weight339.38 g/mol
Exact Mass339.09
IUPAC Name2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSC(c1ccccc1)c1ccccc1)NCC(F)(F)F
InChIInChI=1S/C17H16F3NOS/c18-17(19,20)12-21-15(22)11-23-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,21,22)
InChIKeyHSYQPEUNOGDVNG-UHFFFAOYSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-[[2-[(2-benzhydrylsulfanylacetyl)amino]acetyl]amino]acetyl]amino]acetic acid
CID 10693882
2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43249189
2-benzhydrylsulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7961955
2-benzylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78760684
N-acetyl-2-benzhydrylsulfanylacetamide
CID 23347852
2-(2-phenylpropylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 112682989
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-ethylacetamide
CID 4799568
2-benzhydrylsulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 47003835
2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide
CID 18272928
3-phenylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 78786041
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-hydroxypropyl)acetamide
CID 78856326
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119500116

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 112777132) is 2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide is O=C(CSC(c1ccccc1)c1ccccc1)NCC(F)(F)F.
What is the InChIKey of 2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HSYQPEUNOGDVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NOS/c18-17(19,20)12-21-15(22)11-23-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,21,22).
What are the key properties of 2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 339.38 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 112777132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).