N-(3-methylsulfanylphenyl)-2-(2-nitrophenyl)acetamide

C15H14N2O3S — CID 951610

IUPACN-(3-methylsulfanylphenyl)-2-(2-nitrophenyl)acetamide
SMILESCSc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O3S/c1-21-13-7-4-6-12(10-13)16-15(18)9-11-5-2-3-8-14(11)17(19)20/h2-8,10H,9H2,1H3,(H,16,18)
InChIKeyGXXAGJDWRRSTNF-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.50
Rot. Bonds5

About N-(3-methylsulfanylphenyl)-2-(2-nitrophenyl)acetamide

N-(3-methylsulfanylphenyl)-2-(2-nitrophenyl)acetamide (PubChem CID 951610) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-(2-nitrophenyl)acetamide
PubChem CID951610
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC NameN-(3-methylsulfanylphenyl)-2-(2-nitrophenyl)acetamide
SMILESCSc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C15H14N2O3S/c1-21-13-7-4-6-12(10-13)16-15(18)9-11-5-2-3-8-14(11)17(19)20/h2-8,10H,9H2,1H3,(H,16,18)
InChIKeyGXXAGJDWRRSTNF-UHFFFAOYSA-N
XLogP3.50
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.50
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

3-{[4-(methylsulfanyl)phenyl]amino}-4-(4-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539511
2-(methylsulfanyl)-N-(3-nitrophenyl)benzamide
CID 1254124
N-(2-methyl-5-nitrophenyl)-2-(methylthio)benzamide
CID 2228893
N-(2-methyl-3-nitrophenyl)-2-(methylthio)benzamide
CID 2242312
N-(2-Methylsulfanylphenyl)-4-nitro-benzamide
CID 877269
N-(2-methylsulfanylphenyl)-2-phenylacetamide
CID 881352
N-(2-methyl-3-nitrophenyl)-2-phenyl-2-(phenylsulfanyl)acetamide
CID 2904360
N-(3-methylsulfanylphenyl)-3-phenylpropanamide
CID 7311893
N-[4-(tert-butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide
CID 1320521
N-(2-methyl-5-nitrophenyl)-2-phenyl-2-(phenylsulfanyl)acetamide
CID 2886005
N-(2-methyl-3-nitrophenyl)-2-(2-thienyl)acetamide
CID 2904078
N-[2-(methylthio)phenyl]-2-(2-nitrophenyl)acetamide
CID 956529

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-(2-nitrophenyl)acetamide (CID 951610) is N-(3-methylsulfanylphenyl)-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-(2-nitrophenyl)acetamide is CSc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-(2-nitrophenyl)acetamide?
The InChIKey is GXXAGJDWRRSTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-21-13-7-4-6-12(10-13)16-15(18)9-11-5-2-3-8-14(11)17(19)20/h2-8,10H,9H2,1H3,(H,16,18).
What are the key properties of N-(3-methylsulfanylphenyl)-2-(2-nitrophenyl)acetamide?
N-(3-methylsulfanylphenyl)-2-(2-nitrophenyl)acetamide has a molecular weight of 302.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 951610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).