2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide

C15H13FN2O3S — CID 7228803

IUPAC2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O3S/c1-10-2-5-12(18(20)21)8-14(10)17-15(19)9-22-13-6-3-11(16)4-7-13/h2-8H,9H2,1H3,(H,17,19)
InChIKeyOFAQMFAPFSIMEJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.77
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide (PubChem CID 7228803) has the molecular formula C15H13FN2O3S and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
PubChem CID7228803
Molecular FormulaC15H13FN2O3S
Molecular Weight320.35 g/mol
Exact Mass320.06
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O3S/c1-10-2-5-12(18(20)21)8-14(10)17-15(19)9-22-13-6-3-11(16)4-7-13/h2-8H,9H2,1H3,(H,17,19)
InChIKeyOFAQMFAPFSIMEJ-UHFFFAOYSA-N
XLogP3.77
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.77
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'}

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 9046262
2-methyl-N-[4-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanylphenyl]benzamide
CID 22780298
N-(2,5-difluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26360934
2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7501336
N-(2-chloro-5-nitrophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2591556
2-tert-butylsulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 39753459
N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 2501507
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 46809343
2-(2-acetamidophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 126187085
2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 7870436
[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]azanium
CID 9133638

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide (CID 7228803) is 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide?
The InChIKey is OFAQMFAPFSIMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3S/c1-10-2-5-12(18(20)21)8-14(10)17-15(19)9-22-13-6-3-11(16)4-7-13/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide has a molecular weight of 320.35 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide is sourced from PubChem (CID 7228803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).