4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide

C23H23N3O7S — CID 43017529

IUPAC4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)NCCOc2cccc(C)c2)cc1
InChIInChI=1S/C23H23N3O7S/c1-16-4-3-5-19(14-16)33-13-12-24-23(27)17-6-9-20(10-7-17)34(30,31)25-21-15-18(26(28)29)8-11-22(21)32-2/h3-11,14-15,25H,12-13H2,1-2H3,(H,24,27)
InChIKeyNTXDLITUCSIDAT-UHFFFAOYSA-N
MW485.52 g/mol
LogP3.52
Rot. Bonds10

About 4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide

4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide (PubChem CID 43017529) has the molecular formula C23H23N3O7S and a molecular weight of 485.52 g/mol. Its IUPAC name is 4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
PubChem CID43017529
Molecular FormulaC23H23N3O7S
Molecular Weight485.52 g/mol
Exact Mass485.13
IUPAC Name4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)NCCOc2cccc(C)c2)cc1
InChIInChI=1S/C23H23N3O7S/c1-16-4-3-5-19(14-16)33-13-12-24-23(27)17-6-9-20(10-7-17)34(30,31)25-21-15-18(26(28)29)8-11-22(21)32-2/h3-11,14-15,25H,12-13H2,1-2H3,(H,24,27)
InChIKeyNTXDLITUCSIDAT-UHFFFAOYSA-N
XLogP3.52
TPSA136.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(methoxysulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide
CID 55706676
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide
CID 37148868
N-butyl-4-[(2-methoxy-5-methylphenyl)sulfamoyl]benzamide
CID 109058641
N-(2-methoxy-5-nitrophenyl)benzenesulfonamide
CID 798871
3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 31916381
N-[2-(3-methylphenoxy)ethyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 27859389
N-(2-methoxy-5-nitrophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1251026
N-[2-(3-chlorophenyl)ethyl]-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide
CID 39731277
N-(3,5-dimethylphenyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide
CID 26696362
N-(cyclohexylmethyl)-3-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide
CID 2687868
N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide
CID 580265
N-(2-methoxy-5-nitrophenyl)-4-methylsulfonylbenzenesulfonamide
CID 39392767

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide?
The IUPAC name of 4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide (CID 43017529) is 4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide is COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)NCCOc2cccc(C)c2)cc1.
What is the InChIKey of 4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide?
The InChIKey is NTXDLITUCSIDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O7S/c1-16-4-3-5-19(14-16)33-13-12-24-23(27)17-6-9-20(10-7-17)34(30,31)25-21-15-18(26(28)29)8-11-22(21)32-2/h3-11,14-15,25H,12-13H2,1-2H3,(H,24,27).
What are the key properties of 4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide?
4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide has a molecular weight of 485.52 g/mol, XLogP of 3.52, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-5-nitrophenyl)sulfamoyl]-N-[2-(3-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 43017529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).