N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methoxy-3-nitrobenzamide

C19H23N3O6S — CID 7603394

IUPACN-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methoxy-3-nitrobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H23N3O6S/c1-4-21(5-2)29(26,27)16-9-6-14(7-10-16)13-20-19(23)15-8-11-18(28-3)17(12-15)22(24)25/h6-12H,4-5,13H2,1-3H3,(H,20,23)
InChIKeyGUMKCPSLIWACQH-UHFFFAOYSA-N
MW421.48 g/mol
LogP2.56
Rot. Bonds9

About N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methoxy-3-nitrobenzamide

N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methoxy-3-nitrobenzamide (PubChem CID 7603394) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methoxy-3-nitrobenzamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methoxy-3-nitrobenzamide
PubChem CID7603394
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methoxy-3-nitrobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H23N3O6S/c1-4-21(5-2)29(26,27)16-9-6-14(7-10-16)13-20-19(23)15-8-11-18(28-3)17(12-15)22(24)25/h6-12H,4-5,13H2,1-3H3,(H,20,23)
InChIKeyGUMKCPSLIWACQH-UHFFFAOYSA-N
XLogP2.56
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[4-(diethylsulfamoyl)phenyl]methyl]-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

Related Compounds

N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-methoxy-3-nitrobenzamide
CID 18284337
N-[4-(dipropylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 1293951
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide
CID 4802800
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38168942
4-(diethylsulfamoyl)-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 46586645
4-methoxy-N-[(3-methoxyphenyl)methyl]-3-nitrobenzamide
CID 7749788
N-[(3-carbamoylphenyl)methyl]-4-methoxy-3-nitrobenzamide
CID 32636593
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 5031227
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 87008194
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-fluorobenzamide
CID 7603385
N-[[4-(carbamoylamino)phenyl]methyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 46519693
methyl 5-[[[5-(diethylsulfamoyl)-2-methoxybenzoyl]amino]methyl]-2-methoxybenzoate
CID 55650630

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methoxy-3-nitrobenzamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methoxy-3-nitrobenzamide (CID 7603394) is N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methoxy-3-nitrobenzamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methoxy-3-nitrobenzamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methoxy-3-nitrobenzamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methoxy-3-nitrobenzamide?
The InChIKey is GUMKCPSLIWACQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-4-21(5-2)29(26,27)16-9-6-14(7-10-16)13-20-19(23)15-8-11-18(28-3)17(12-15)22(24)25/h6-12H,4-5,13H2,1-3H3,(H,20,23).
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methoxy-3-nitrobenzamide?
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methoxy-3-nitrobenzamide has a molecular weight of 421.48 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-methoxy-3-nitrobenzamide is sourced from PubChem (CID 7603394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).