N-(3-acetamido-4-fluorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide

C17H16ClFN2O2S — CID 55532780

IUPACN-(3-acetamido-4-fluorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
SMILESCC(=O)Nc1cc(NC(=O)CSCc2cccc(Cl)c2)ccc1F
InChIInChI=1S/C17H16ClFN2O2S/c1-11(22)20-16-8-14(5-6-15(16)19)21-17(23)10-24-9-12-3-2-4-13(18)7-12/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyLMZTUIHTVBIQTM-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.31
Rot. Bonds6

About N-(3-acetamido-4-fluorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide

N-(3-acetamido-4-fluorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide (PubChem CID 55532780) has the molecular formula C17H16ClFN2O2S and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
PubChem CID55532780
Molecular FormulaC17H16ClFN2O2S
Molecular Weight366.85 g/mol
Exact Mass366.06
IUPAC NameN-(3-acetamido-4-fluorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
SMILESCC(=O)Nc1cc(NC(=O)CSCc2cccc(Cl)c2)ccc1F
InChIInChI=1S/C17H16ClFN2O2S/c1-11(22)20-16-8-14(5-6-15(16)19)21-17(23)10-24-9-12-3-2-4-13(18)7-12/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyLMZTUIHTVBIQTM-UHFFFAOYSA-N
XLogP4.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetylphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 2711464
2-[(3-chlorophenyl)methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 875851
2-[(3-chlorophenyl)methylsulfanyl]-N-[3-(hydroxymethyl)phenyl]acetamide
CID 60629859
N-[5-[(3-chlorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928498
2-[(3-chlorophenyl)methylsulfanyl]-N-pyridin-4-ylacetamide
CID 27700031
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)acetamide
CID 18269298
N-(5-chloro-2-hydroxyphenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide
CID 56581526
N-(3-acetamidophenyl)-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 17309885
2-[(3-chlorophenyl)methylsulfanyl]-N-(6-methoxy-3-pyridinyl)acetamide
CID 40713437
2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 94837778
2-[(3-chlorophenyl)methylsulfanyl]-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 9219362
2-[(3-chlorophenyl)methylsulfanyl]-N-(3-fluoro-5-sulfamoylphenyl)acetamide
CID 55980561

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide (CID 55532780) is N-(3-acetamido-4-fluorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide is CC(=O)Nc1cc(NC(=O)CSCc2cccc(Cl)c2)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide?
The InChIKey is LMZTUIHTVBIQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2S/c1-11(22)20-16-8-14(5-6-15(16)19)21-17(23)10-24-9-12-3-2-4-13(18)7-12/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide?
N-(3-acetamido-4-fluorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide has a molecular weight of 366.85 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-2-[(3-chlorophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 55532780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).