N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide

C15H13N3O6S — CID 46809343

IUPACN-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O6S/c1-24-14-7-4-11(18(22)23)8-13(14)16-15(19)9-25-12-5-2-10(3-6-12)17(20)21/h2-8H,9H2,1H3,(H,16,19)
InChIKeyVZHUJOKJTGHPEM-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.24
Rot. Bonds7

About N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide

N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide (PubChem CID 46809343) has the molecular formula C15H13N3O6S and a molecular weight of 363.35 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide
PubChem CID46809343
Molecular FormulaC15H13N3O6S
Molecular Weight363.35 g/mol
Exact Mass363.05
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13N3O6S/c1-24-14-7-4-11(18(22)23)8-13(14)16-15(19)9-25-12-5-2-10(3-6-12)17(20)21/h2-8H,9H2,1H3,(H,16,19)
InChIKeyVZHUJOKJTGHPEM-UHFFFAOYSA-N
XLogP3.24
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

N-(2-methoxy-5-nitrophenyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468662
3-(2-methoxy-5-nitroanilino)-3-oxopropanoic acid
CID 62230736
N-(2-methoxy-5-nitrophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 2566598
2-(3-chloro-4-fluorophenyl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide
CID 8680444
N-[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide
CID 23096856
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
N-(2-chloro-5-nitrophenyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 2591556
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 7972585
N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylpropanamide
CID 55363375
2-(4-fluorophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 7228803
2-(4-chlorophenyl)sulfanyl-N-(2-fluoro-5-nitrophenyl)acetamide
CID 7501336
N-(2-methoxy-5-nitrophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949950

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide (CID 46809343) is N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide?
The InChIKey is VZHUJOKJTGHPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O6S/c1-24-14-7-4-11(18(22)23)8-13(14)16-15(19)9-25-12-5-2-10(3-6-12)17(20)21/h2-8H,9H2,1H3,(H,16,19).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide?
N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide has a molecular weight of 363.35 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-(4-nitrophenyl)sulfanylacetamide is sourced from PubChem (CID 46809343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).