N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-fluorophenyl)acetamide

C21H17ClFNOS — CID 100574546

IUPACN-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccccc1SCc1ccc(Cl)cc1
InChIInChI=1S/C21H17ClFNOS/c22-17-9-5-16(6-10-17)14-26-20-4-2-1-3-19(20)24-21(25)13-15-7-11-18(23)12-8-15/h1-12H,13-14H2,(H,24,25)
InChIKeyNQSNOQRPHUTYPV-UHFFFAOYSA-N
MW385.89 g/mol
LogP5.95
Rot. Bonds6

About N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-fluorophenyl)acetamide

N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 100574546) has the molecular formula C21H17ClFNOS and a molecular weight of 385.89 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-fluorophenyl)acetamide
PubChem CID100574546
Molecular FormulaC21H17ClFNOS
Molecular Weight385.89 g/mol
Exact Mass385.07
IUPAC NameN-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccccc1SCc1ccc(Cl)cc1
InChIInChI=1S/C21H17ClFNOS/c22-17-9-5-16(6-10-17)14-26-20-4-2-1-3-19(20)24-21(25)13-15-7-11-18(23)12-8-15/h1-12H,13-14H2,(H,24,25)
InChIKeyNQSNOQRPHUTYPV-UHFFFAOYSA-N
XLogP5.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.89
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylsulfanylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 92684443
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)acetamide
CID 43898969
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
N-[2-(aminomethyl)phenyl]-2-(4-chlorophenyl)acetamide
CID 64894278
N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 7961331
2-(4-fluorophenoxy)-N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]acetamide
CID 17132200
2-(2-benzylsulfanylanilino)-N-(2,4-difluorophenyl)acetamide
CID 16576531
(3R)-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100670784
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]formamide
CID 168651013
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894634
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(N-methylsulfonyl-4-propan-2-ylanilino)acetamide
CID 30219433
2-[2-[(4-fluorophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-4-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 135885967

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-fluorophenyl)acetamide (CID 100574546) is N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-fluorophenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1ccccc1SCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is NQSNOQRPHUTYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFNOS/c22-17-9-5-16(6-10-17)14-26-20-4-2-1-3-19(20)24-21(25)13-15-7-11-18(23)12-8-15/h1-12H,13-14H2,(H,24,25).
What are the key properties of N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-fluorophenyl)acetamide?
N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 385.89 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 100574546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).