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

C16H16FNOS — CID 733610

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNOS/c1-12-2-8-15(9-3-12)18-16(19)11-20-10-13-4-6-14(17)7-5-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyDISUANHZBIOFQJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.01
Rot. Bonds5

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

2-[(4-fluorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide (PubChem CID 733610) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
PubChem CID733610
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNOS/c1-12-2-8-15(9-3-12)18-16(19)11-20-10-13-4-6-14(17)7-5-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyDISUANHZBIOFQJ-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11942
2-{[2-Oxo-2-(4-toluidino)ethyl]sulfanyl}-acetic acid
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2-(benzylthio)-N-phenylacetamide
CID 584914
4',4''-Methylenebis(acetanilide)
CID 94990
AZ12216052
CID 73755190
trans-4-Acetylaminostilbene
CID 786655
S-2-(o-toluidino)-2-oxoethyl carbamothioate
CID 224667
6-(2-Fluorophenyl)-2,2-dimethyl-4-[(prop-2-en-1-ylsulfanyl)methyl]-1,2-dihydroquinoline
CID 10337273
2-[(2,6-difluorobenzyl)thio]-N-phenylacetamide
CID 872566
2-(benzylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 2897643
N-(3-methylphenyl)-2-[(4-methylphenyl)sulfanyl]acetamide
CID 788759
2-Benzylsulfanyl-N-m-tolyl-propionamide
CID 2889447

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide (CID 733610) is 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide?
The InChIKey is DISUANHZBIOFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-12-2-8-15(9-3-12)18-16(19)11-20-10-13-4-6-14(17)7-5-13/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide?
2-[(4-fluorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 733610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).