N-(4-fluoro-3-nitrophenyl)-2-(4-methylphenyl)sulfanylacetamide

C15H13FN2O3S — CID 9212079

IUPACN-(4-fluoro-3-nitrophenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H13FN2O3S/c1-10-2-5-12(6-3-10)22-9-15(19)17-11-4-7-13(16)14(8-11)18(20)21/h2-8H,9H2,1H3,(H,17,19)
InChIKeyVULRIRVLFWZZFU-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.77
Rot. Bonds5

About N-(4-fluoro-3-nitrophenyl)-2-(4-methylphenyl)sulfanylacetamide

N-(4-fluoro-3-nitrophenyl)-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 9212079) has the molecular formula C15H13FN2O3S and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-2-(4-methylphenyl)sulfanylacetamide
PubChem CID9212079
Molecular FormulaC15H13FN2O3S
Molecular Weight320.35 g/mol
Exact Mass320.06
IUPAC NameN-(4-fluoro-3-nitrophenyl)-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H13FN2O3S/c1-10-2-5-12(6-3-10)22-9-15(19)17-11-4-7-13(16)14(8-11)18(20)21/h2-8H,9H2,1H3,(H,17,19)
InChIKeyVULRIRVLFWZZFU-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-(4-acetamidophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)acetamide
CID 2080436
2-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 40715000
N-(4-methyl-3-nitrophenyl)-2-phenylsulfanylacetamide
CID 2206801
2-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 9212200
N-(4-fluoro-3-nitrophenyl)-4-methylbenzamide
CID 2853231
N-(3,4-difluorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]acetamide
CID 27772603
N-(4-fluoro-3-nitrophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2062147
N-(4-fluorophenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 2824699
N-(4-fluoro-3-nitrophenyl)-2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7417713
N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 3354300
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
N-(4-fluoro-3-nitrophenyl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41382079

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-(4-methylphenyl)sulfanylacetamide (CID 9212079) is N-(4-fluoro-3-nitrophenyl)-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is VULRIRVLFWZZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3S/c1-10-2-5-12(6-3-10)22-9-15(19)17-11-4-7-13(16)14(8-11)18(20)21/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-2-(4-methylphenyl)sulfanylacetamide?
N-(4-fluoro-3-nitrophenyl)-2-(4-methylphenyl)sulfanylacetamide 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 N-(4-fluoro-3-nitrophenyl)-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 9212079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).