N-(2-amino-2-oxoethoxy)-5-methylsulfanyl-2-nitrobenzamide

C10H11N3O5S — CID 112550884

IUPACN-(2-amino-2-oxoethoxy)-5-methylsulfanyl-2-nitrobenzamide
SMILESCSc1ccc([N+](=O)[O-])c(C(=O)NOCC(N)=O)c1
InChIInChI=1S/C10H11N3O5S/c1-19-6-2-3-8(13(16)17)7(4-6)10(15)12-18-5-9(11)14/h2-4H,5H2,1H3,(H2,11,14)(H,12,15)
InChIKeyYGYBBUBQSNNHJG-UHFFFAOYSA-N
MW285.28 g/mol
LogP0.46
Rot. Bonds6

About N-(2-amino-2-oxoethoxy)-5-methylsulfanyl-2-nitrobenzamide

N-(2-amino-2-oxoethoxy)-5-methylsulfanyl-2-nitrobenzamide (PubChem CID 112550884) has the molecular formula C10H11N3O5S and a molecular weight of 285.28 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-5-methylsulfanyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-5-methylsulfanyl-2-nitrobenzamide
PubChem CID112550884
Molecular FormulaC10H11N3O5S
Molecular Weight285.28 g/mol
Exact Mass285.04
IUPAC NameN-(2-amino-2-oxoethoxy)-5-methylsulfanyl-2-nitrobenzamide
SMILESCSc1ccc([N+](=O)[O-])c(C(=O)NOCC(N)=O)c1
InChIInChI=1S/C10H11N3O5S/c1-19-6-2-3-8(13(16)17)7(4-6)10(15)12-18-5-9(11)14/h2-4H,5H2,1H3,(H2,11,14)(H,12,15)
InChIKeyYGYBBUBQSNNHJG-UHFFFAOYSA-N
XLogP0.46
TPSA124.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-methylsulfanyl-2-nitrobenzohydrazide
CID 43091236
N-methyl-5-methylsulfanyl-2-nitrobenzamide
CID 47128313
5-methylsulfanyl-2-nitrobenzamide
CID 43091237
methyl 2-[(5-methylsulfanyl-2-nitrobenzoyl)amino]acetate
CID 27682547
methyl 2-hydroxy-3-[(5-methylsulfanyl-2-nitrobenzoyl)amino]propanoate
CID 103879308
5-methylsulfanyl-2-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 35353392
N-(2-ethylphenyl)-5-methylsulfanyl-2-nitrobenzamide
CID 27895530
5-methylsulfanyl-2-nitro-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 55953445
N-[2-(3-hydroxypropylsulfanyl)ethyl]-5-methylsulfanyl-2-nitrobenzamide
CID 103767342
N-[2-(4-methylphenoxy)ethyl]-5-methylsulfanyl-2-nitrobenzamide
CID 27007939
N-[[2-(methoxymethyl)phenyl]methyl]-5-methylsulfanyl-2-nitrobenzamide
CID 32604919
[2-(butylcarbamoylamino)-2-oxoethyl] 5-methylsulfanyl-2-nitrobenzoate
CID 27005286

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-5-methylsulfanyl-2-nitrobenzamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-5-methylsulfanyl-2-nitrobenzamide (CID 112550884) is N-(2-amino-2-oxoethoxy)-5-methylsulfanyl-2-nitrobenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-5-methylsulfanyl-2-nitrobenzamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-5-methylsulfanyl-2-nitrobenzamide is CSc1ccc([N+](=O)[O-])c(C(=O)NOCC(N)=O)c1.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-5-methylsulfanyl-2-nitrobenzamide?
The InChIKey is YGYBBUBQSNNHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5S/c1-19-6-2-3-8(13(16)17)7(4-6)10(15)12-18-5-9(11)14/h2-4H,5H2,1H3,(H2,11,14)(H,12,15).
What are the key properties of N-(2-amino-2-oxoethoxy)-5-methylsulfanyl-2-nitrobenzamide?
N-(2-amino-2-oxoethoxy)-5-methylsulfanyl-2-nitrobenzamide has a molecular weight of 285.28 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-5-methylsulfanyl-2-nitrobenzamide is sourced from PubChem (CID 112550884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).