N-(2-methoxy-5-nitrophenyl)-2-phenylsulfanylacetamide

C15H14N2O4S — CID 798201

IUPACN-(2-methoxy-5-nitrophenyl)-2-phenylsulfanylacetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccccc1
InChIInChI=1S/C15H14N2O4S/c1-21-14-8-7-11(17(19)20)9-13(14)16-15(18)10-22-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,18)
InChIKeyKDGRLHBTRZLLKD-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.33
Rot. Bonds6

About N-(2-methoxy-5-nitrophenyl)-2-phenylsulfanylacetamide

N-(2-methoxy-5-nitrophenyl)-2-phenylsulfanylacetamide (PubChem CID 798201) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-phenylsulfanylacetamide
PubChem CID798201
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-phenylsulfanylacetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccccc1
InChIInChI=1S/C15H14N2O4S/c1-21-14-8-7-11(17(19)20)9-13(14)16-15(18)10-22-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,18)
InChIKeyKDGRLHBTRZLLKD-UHFFFAOYSA-N
XLogP3.33
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-methoxy-5-nitrophenyl)-2-phenylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-phenylsulfanylacetamide (CID 798201) is N-(2-methoxy-5-nitrophenyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-phenylsulfanylacetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccccc1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-phenylsulfanylacetamide?
The InChIKey is KDGRLHBTRZLLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-21-14-8-7-11(17(19)20)9-13(14)16-15(18)10-22-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,18).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-phenylsulfanylacetamide?
N-(2-methoxy-5-nitrophenyl)-2-phenylsulfanylacetamide has a molecular weight of 318.35 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 798201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).