2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide

C22H21N3O5S — CID 1309880

IUPAC2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H21N3O5S/c26-22(16-18-8-4-5-9-21(18)25(27)28)24-19-10-12-20(13-11-19)31(29,30)23-15-14-17-6-2-1-3-7-17/h1-13,23H,14-16H2,(H,24,26)
InChIKeySZWURIQYXWMDMA-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.30
Rot. Bonds9

About 2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide

2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide (PubChem CID 1309880) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
PubChem CID1309880
Molecular FormulaC22H21N3O5S
Molecular Weight439.49 g/mol
Exact Mass439.12
IUPAC Name2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C22H21N3O5S/c26-22(16-18-8-4-5-9-21(18)25(27)28)24-19-10-12-20(13-11-19)31(29,30)23-15-14-17-6-2-1-3-7-17/h1-13,23H,14-16H2,(H,24,26)
InChIKeySZWURIQYXWMDMA-UHFFFAOYSA-N
XLogP3.30
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.30
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'}

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Related Compounds

N-[4-(butylsulfamoyl)phenyl]-2-(2-nitrophenyl)acetamide
CID 2187430
2-(2-methylphenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 17145873
N-(4-methylsulfonylphenyl)-2-(2-nitrophenyl)acetamide
CID 51154622
2-(2-nitrophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4943654
N-(4-anilinophenyl)-2-(2-nitrophenyl)acetamide
CID 887556
2-cyano-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 168522081
4-oxo-4-phenyl-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide
CID 108807364
3-[(4-bromophenyl)sulfonylamino]-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 17192480
2-phenoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5187425
4-chloro-N-[4-(2-phenylethylsulfamoyl)phenyl]butanamide
CID 17160952
4-nitro-N-(2-phenylethyl)benzenesulfonamide
CID 682201
N-[3-oxo-3-[4-(2-phenylethylsulfamoyl)anilino]propyl]benzamide
CID 17154573

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide (CID 1309880) is 2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide is O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide?
The InChIKey is SZWURIQYXWMDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S/c26-22(16-18-8-4-5-9-21(18)25(27)28)24-19-10-12-20(13-11-19)31(29,30)23-15-14-17-6-2-1-3-7-17/h1-13,23H,14-16H2,(H,24,26).
What are the key properties of 2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide?
2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide has a molecular weight of 439.49 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 1309880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).