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

C15H13FN2O3S — CID 882447

IUPACN-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O3S/c16-12-3-5-13(6-4-12)17-15(19)10-22-9-11-1-7-14(8-2-11)18(20)21/h1-8H,9-10H2,(H,17,19)
InChIKeySAZIHRHHQSNOPA-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.61
Rot. Bonds6

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

N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide (PubChem CID 882447) has the molecular formula C15H13FN2O3S and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide
PubChem CID882447
Molecular FormulaC15H13FN2O3S
Molecular Weight320.35 g/mol
Exact Mass320.06
IUPAC NameN-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide
SMILESO=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O3S/c16-12-3-5-13(6-4-12)17-15(19)10-22-9-11-1-7-14(8-2-11)18(20)21/h1-8H,9-10H2,(H,17,19)
InChIKeySAZIHRHHQSNOPA-UHFFFAOYSA-N
XLogP3.61
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-nitrophenyl)methylsulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 100508821
N-(4-fluorophenyl)-2-[2-(3-nitroanilino)-2-oxoethyl]sulfanylacetamide
CID 26561688
N-(4-methylphenyl)-2-[2-(4-nitroanilino)-2-oxoethyl]sulfanylacetamide
CID 55363585
N-[4-(acetylsulfamoyl)phenyl]-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 4786491
2-[(4-methylphenyl)methylsulfanyl]-N-[2-(4-nitroanilino)ethyl]acetamide
CID 9308837
2-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 9212200
N-(4-fluorophenyl)-3-(4-nitrophenyl)sulfanylpropanamide
CID 926005
4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 39084029
2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 7514061
2-benzylsulfanyl-N-[5-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 40833710
4-[[2-(4-fluoroanilino)-2-oxoethyl]sulfanylmethyl]-N-prop-2-enylbenzamide
CID 39083980
2-[(4-fluorophenyl)methylsulfanyl]-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 18081449

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide (CID 882447) is N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide is O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide?
The InChIKey is SAZIHRHHQSNOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3S/c16-12-3-5-13(6-4-12)17-15(19)10-22-9-11-1-7-14(8-2-11)18(20)21/h1-8H,9-10H2,(H,17,19).
What are the key properties of N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide?
N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide has a molecular weight of 320.35 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 882447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).