N-(2-ethylsulfanylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide

C17H18FNOS2 — CID 92684443

IUPACN-(2-ethylsulfanylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide
SMILESCCSc1ccccc1NC(=O)CSCc1ccc(F)cc1
InChIInChI=1S/C17H18FNOS2/c1-2-22-16-6-4-3-5-15(16)19-17(20)12-21-11-13-7-9-14(18)10-8-13/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyZDUGNBYNWVCYTF-UHFFFAOYSA-N
MW335.47 g/mol
LogP4.81
Rot. Bonds7

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

N-(2-ethylsulfanylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide (PubChem CID 92684443) has the molecular formula C17H18FNOS2 and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide
PubChem CID92684443
Molecular FormulaC17H18FNOS2
Molecular Weight335.47 g/mol
Exact Mass335.08
IUPAC NameN-(2-ethylsulfanylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide
SMILESCCSc1ccccc1NC(=O)CSCc1ccc(F)cc1
InChIInChI=1S/C17H18FNOS2/c1-2-22-16-6-4-3-5-15(16)19-17(20)12-21-11-13-7-9-14(18)10-8-13/h3-10H,2,11-12H2,1H3,(H,19,20)
InChIKeyZDUGNBYNWVCYTF-UHFFFAOYSA-N
XLogP4.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-2-(4-fluorophenyl)acetamide
CID 100574546
N-(2-ethylsulfanylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 46763178
N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 28631186
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 4153660
1-(2-ethylsulfanylphenyl)-3-(4-fluorophenyl)thiourea
CID 100641051
2-benzylsulfanyl-N-(2-propan-2-yloxyphenyl)acetamide
CID 39000097
2-benzylsulfanyl-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 889563
2-[(4-chlorophenyl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 2075755
N-(2-ethylsulfanylphenyl)but-3-enamide
CID 162691877
2,2-diethyl-4-(2-ethylsulfanylanilino)-4-oxobutanoic acid
CID 60933601
ethyl 4-(2-ethylsulfanylanilino)-4-oxobutanoate
CID 61061323
N-(2-ethylsulfanylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46776821

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide (CID 92684443) is N-(2-ethylsulfanylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide is CCSc1ccccc1NC(=O)CSCc1ccc(F)cc1.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
The InChIKey is ZDUGNBYNWVCYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS2/c1-2-22-16-6-4-3-5-15(16)19-17(20)12-21-11-13-7-9-14(18)10-8-13/h3-10H,2,11-12H2,1H3,(H,19,20).
What are the key properties of N-(2-ethylsulfanylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide?
N-(2-ethylsulfanylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide has a molecular weight of 335.47 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 92684443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).