N-(2-methyl-5-nitrophenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide

C24H25N3O5S — CID 126245131

IUPACN-(2-methyl-5-nitrophenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C24H25N3O5S/c1-18-7-11-21(27(29)30)17-23(18)26-24(28)14-10-20-8-12-22(13-9-20)33(31,32)25-16-15-19-5-3-2-4-6-19/h2-9,11-13,17,25H,10,14-16H2,1H3,(H,26,28)
InChIKeyXJJZZAFLNGUFIT-UHFFFAOYSA-N
MW467.55 g/mol
LogP4.00
Rot. Bonds10

About N-(2-methyl-5-nitrophenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide

N-(2-methyl-5-nitrophenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide (PubChem CID 126245131) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is N-(2-methyl-5-nitrophenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(2-methyl-5-nitrophenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
PubChem CID126245131
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC NameN-(2-methyl-5-nitrophenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C24H25N3O5S/c1-18-7-11-21(27(29)30)17-23(18)26-24(28)14-10-20-8-12-22(13-9-20)33(31,32)25-16-15-19-5-3-2-4-6-19/h2-9,11-13,17,25H,10,14-16H2,1H3,(H,26,28)
InChIKeyXJJZZAFLNGUFIT-UHFFFAOYSA-N
XLogP4.00
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 54.00
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

3-[(4-bromophenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)propanamide
CID 17192374
N-(2,3-dimethylphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 126236704
4-nitro-N-(2-phenylethyl)benzenesulfonamide
CID 682201
3-(2-chlorophenyl)-N-(2-methyl-5-nitrophenyl)propanamide
CID 17178933
3-[(4-nitrophenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 17192905
N-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-2-phenylacetamide
CID 51161641
N,N'-bis(2-methyl-5-nitrophenyl)nonanediamide
CID 4508002
3-chloro-N-(2-methyl-5-nitrophenyl)propanamide
CID 4159134
N-(2-hydroxy-5-nitrophenyl)-3-(4-methylphenyl)propanamide
CID 17342552
3-[4-(benzylsulfamoyl)phenyl]-N-(4-chloro-2-methylphenyl)propanamide
CID 126227045
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 21380353
N-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 100796411

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-nitrophenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The IUPAC name of N-(2-methyl-5-nitrophenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide (CID 126245131) is N-(2-methyl-5-nitrophenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for N-(2-methyl-5-nitrophenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for N-(2-methyl-5-nitrophenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of N-(2-methyl-5-nitrophenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
The InChIKey is XJJZZAFLNGUFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-18-7-11-21(27(29)30)17-23(18)26-24(28)14-10-20-8-12-22(13-9-20)33(31,32)25-16-15-19-5-3-2-4-6-19/h2-9,11-13,17,25H,10,14-16H2,1H3,(H,26,28).
What are the key properties of N-(2-methyl-5-nitrophenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide?
N-(2-methyl-5-nitrophenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide has a molecular weight of 467.55 g/mol, XLogP of 4.00, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-nitrophenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 126245131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).