2-benzhydrylsulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide

C22H18F3NOS — CID 7961955

IUPAC2-benzhydrylsulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSC(c1ccccc1)c1ccccc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H18F3NOS/c23-22(24,25)18-11-13-19(14-12-18)26-20(27)15-28-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21H,15H2,(H,26,27)
InChIKeyKUBNXHSAPCHQKP-UHFFFAOYSA-N
MW401.45 g/mol
LogP6.17
Rot. Bonds6

About 2-benzhydrylsulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide

2-benzhydrylsulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 7961955) has the molecular formula C22H18F3NOS and a molecular weight of 401.45 g/mol. Its IUPAC name is 2-benzhydrylsulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-benzhydrylsulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID7961955
Molecular FormulaC22H18F3NOS
Molecular Weight401.45 g/mol
Exact Mass401.11
IUPAC Name2-benzhydrylsulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSC(c1ccccc1)c1ccccc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H18F3NOS/c23-22(24,25)18-11-13-19(14-12-18)26-20(27)15-28-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21H,15H2,(H,26,27)
InChIKeyKUBNXHSAPCHQKP-UHFFFAOYSA-N
XLogP6.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.45
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzhydrylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 2451774
2-[(1S)-2-oxo-1-phenyl-2-[4-(trifluoromethyl)anilino]ethyl]sulfanylacetate
CID 6987287
2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanylbenzoate
CID 4575825
2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112777132
2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide
CID 18272928
2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 770706
3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109020331
2-chloro-2-phenyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 43082478
1-benzhydryl-3-[4-(trifluoromethyl)phenyl]urea
CID 108867584
4-[[2-[(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]-N-cyclopropylbenzamide
CID 55489531
2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 20900482
N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 26686373

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-benzhydrylsulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide (CID 7961955) is 2-benzhydrylsulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-benzhydrylsulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-benzhydrylsulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-benzhydrylsulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KUBNXHSAPCHQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NOS/c23-22(24,25)18-11-13-19(14-12-18)26-20(27)15-28-21(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14,21H,15H2,(H,26,27).
What are the key properties of 2-benzhydrylsulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide?
2-benzhydrylsulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 401.45 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 7961955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).