N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(dimethylamino)-5-nitrobenzamide

C23H31N5O6S — CID 4850521

IUPACN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(dimethylamino)-5-nitrobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c1
InChIInChI=1S/C23H31N5O6S/c1-5-27(6-2)35(32,33)18-8-10-22(26-11-13-34-14-12-26)20(16-18)24-23(29)19-15-17(28(30)31)7-9-21(19)25(3)4/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,24,29)
InChIKeyUVBWTZFTTHATQY-UHFFFAOYSA-N
MW505.60 g/mol
LogP2.78
Rot. Bonds9

About N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(dimethylamino)-5-nitrobenzamide

N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(dimethylamino)-5-nitrobenzamide (PubChem CID 4850521) has the molecular formula C23H31N5O6S and a molecular weight of 505.60 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(dimethylamino)-5-nitrobenzamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(dimethylamino)-5-nitrobenzamide
PubChem CID4850521
Molecular FormulaC23H31N5O6S
Molecular Weight505.60 g/mol
Exact Mass505.20
IUPAC NameN-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(dimethylamino)-5-nitrobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c1
InChIInChI=1S/C23H31N5O6S/c1-5-27(6-2)35(32,33)18-8-10-22(26-11-13-34-14-12-26)20(16-18)24-23(29)19-15-17(28(30)31)7-9-21(19)25(3)4/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,24,29)
InChIKeyUVBWTZFTTHATQY-UHFFFAOYSA-N
XLogP2.78
TPSA125.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(dimethylamino)-5-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 55396241
N-[5-[ethyl(phenyl)sulfamoyl]-2-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 16959344
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 16546078
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-methoxyacetamide
CID 24656898
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,3-dimethylbutanamide
CID 3602856
(2E,4E)-N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]hexa-2,4-dienamide
CID 18168362
2-chloro-5-(diethylsulfamoyl)-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 3584182
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-propan-2-ylsulfanylacetamide
CID 30841717
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 16560707
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963255
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 4856797
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(dimethylamino)-5-nitrobenzamide
CID 26521170

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(dimethylamino)-5-nitrobenzamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(dimethylamino)-5-nitrobenzamide (CID 4850521) is N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(dimethylamino)-5-nitrobenzamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(dimethylamino)-5-nitrobenzamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(dimethylamino)-5-nitrobenzamide is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc([N+](=O)[O-])ccc2N(C)C)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(dimethylamino)-5-nitrobenzamide?
The InChIKey is UVBWTZFTTHATQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O6S/c1-5-27(6-2)35(32,33)18-8-10-22(26-11-13-34-14-12-26)20(16-18)24-23(29)19-15-17(28(30)31)7-9-21(19)25(3)4/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,24,29).
What are the key properties of N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(dimethylamino)-5-nitrobenzamide?
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(dimethylamino)-5-nitrobenzamide has a molecular weight of 505.60 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-2-(dimethylamino)-5-nitrobenzamide is sourced from PubChem (CID 4850521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).