2-(2-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C16H17N3O5S — CID 1346615

IUPAC2-(2-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H17N3O5S/c17-25(23,24)14-7-5-12(6-8-14)9-10-18-16(20)11-13-3-1-2-4-15(13)19(21)22/h1-8H,9-11H2,(H,18,20)(H2,17,23,24)
InChIKeyBGCNZNXNQURJDY-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.14
Rot. Bonds7

About 2-(2-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(2-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 1346615) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID1346615
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name2-(2-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C16H17N3O5S/c17-25(23,24)14-7-5-12(6-8-14)9-10-18-16(20)11-13-3-1-2-4-15(13)19(21)22/h1-8H,9-11H2,(H,18,20)(H2,17,23,24)
InChIKeyBGCNZNXNQURJDY-UHFFFAOYSA-N
XLogP1.14
TPSA132.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
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 2-(2-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide 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 2-(2-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 1346615) is 2-(2-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-(2-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is BGCNZNXNQURJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c17-25(23,24)14-7-5-12(6-8-14)9-10-18-16(20)11-13-3-1-2-4-15(13)19(21)22/h1-8H,9-11H2,(H,18,20)(H2,17,23,24).
What are the key properties of 2-(2-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(2-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 363.40 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 1346615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).