2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide

C21H18FNOS — CID 18272928

IUPAC2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide
SMILESO=C(CSC(c1ccccc1)c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C21H18FNOS/c22-18-13-7-8-14-19(18)23-20(24)15-25-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H,23,24)
InChIKeyKQVOJSKZZBJKTO-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.29
Rot. Bonds6

About 2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide

2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide (PubChem CID 18272928) has the molecular formula C21H18FNOS and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide
PubChem CID18272928
Molecular FormulaC21H18FNOS
Molecular Weight351.45 g/mol
Exact Mass351.11
IUPAC Name2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide
SMILESO=C(CSC(c1ccccc1)c1ccccc1)Nc1ccccc1F
InChIInChI=1S/C21H18FNOS/c22-18-13-7-8-14-19(18)23-20(24)15-25-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H,23,24)
InChIKeyKQVOJSKZZBJKTO-UHFFFAOYSA-N
XLogP5.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide
CID 99136888
2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 66242283
N'-(2-benzhydrylsulfanylacetyl)-2-fluorobenzohydrazide
CID 9401840
2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2616290
2-benzhydrylsulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7961955
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 47003851
2-(2,3-dihydroxypropylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 79683205
2-(4-bromophenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2194605
N-(2-fluorophenyl)-2-iodoacetamide
CID 12611676
N-acetyl-2-benzhydrylsulfanylacetamide
CID 23347852
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 43466135
2-benzhydrylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 112777132

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide (CID 18272928) is 2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide is O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccccc1F.
What is the InChIKey of 2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide?
The InChIKey is KQVOJSKZZBJKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNOS/c22-18-13-7-8-14-19(18)23-20(24)15-25-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,21H,15H2,(H,23,24).
What are the key properties of 2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide?
2-benzhydrylsulfanyl-N-(2-fluorophenyl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 5.29, 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-fluorophenyl)acetamide is sourced from PubChem (CID 18272928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).