N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)sulfonylacetamide

C16H16N2O6S — CID 1264376

IUPACN-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)sulfonylacetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H16N2O6S/c1-11-3-6-13(7-4-11)25(22,23)10-16(19)17-14-9-12(18(20)21)5-8-15(14)24-2/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyRAWPXFZZVPESBN-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.32
Rot. Bonds6

About N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)sulfonylacetamide

N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)sulfonylacetamide (PubChem CID 1264376) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)sulfonylacetamide
PubChem CID1264376
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)sulfonylacetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H16N2O6S/c1-11-3-6-13(7-4-11)25(22,23)10-16(19)17-14-9-12(18(20)21)5-8-15(14)24-2/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyRAWPXFZZVPESBN-UHFFFAOYSA-N
XLogP2.32
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)sulfonylacetamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)sulfonylacetamide (CID 1264376) is N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)sulfonylacetamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)sulfonylacetamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)sulfonylacetamide is COc1ccc([N+](=O)[O-])cc1NC(=O)CS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)sulfonylacetamide?
The InChIKey is RAWPXFZZVPESBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c1-11-3-6-13(7-4-11)25(22,23)10-16(19)17-14-9-12(18(20)21)5-8-15(14)24-2/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)sulfonylacetamide?
N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)sulfonylacetamide has a molecular weight of 364.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-(4-methylphenyl)sulfonylacetamide is sourced from PubChem (CID 1264376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).