N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methoxy-3-nitrobenzamide

C19H23N3O7S — CID 2916139

IUPACN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methoxy-3-nitrobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H23N3O7S/c1-5-21(6-2)30(26,27)14-8-10-17(28-3)15(12-14)20-19(23)13-7-9-18(29-4)16(11-13)22(24)25/h7-12H,5-6H2,1-4H3,(H,20,23)
InChIKeyNRPOSXZITIAZHO-UHFFFAOYSA-N
MW437.47 g/mol
LogP2.89
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methoxy-3-nitrobenzamide

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methoxy-3-nitrobenzamide (PubChem CID 2916139) has the molecular formula C19H23N3O7S and a molecular weight of 437.47 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methoxy-3-nitrobenzamide
PubChem CID2916139
Molecular FormulaC19H23N3O7S
Molecular Weight437.47 g/mol
Exact Mass437.13
IUPAC NameN-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methoxy-3-nitrobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C19H23N3O7S/c1-5-21(6-2)30(26,27)14-8-10-17(28-3)15(12-14)20-19(23)13-7-9-18(29-4)16(11-13)22(24)25/h7-12H,5-6H2,1-4H3,(H,20,23)
InChIKeyNRPOSXZITIAZHO-UHFFFAOYSA-N
XLogP2.89
TPSA128.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methoxy-3-nitrobenzamide 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 N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methoxy-3-nitrobenzamide (CID 2916139) is N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methoxy-3-nitrobenzamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methoxy-3-nitrobenzamide?
The InChIKey is NRPOSXZITIAZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O7S/c1-5-21(6-2)30(26,27)14-8-10-17(28-3)15(12-14)20-19(23)13-7-9-18(29-4)16(11-13)22(24)25/h7-12H,5-6H2,1-4H3,(H,20,23).
What are the key properties of N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methoxy-3-nitrobenzamide?
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methoxy-3-nitrobenzamide has a molecular weight of 437.47 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 2916139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).