5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide

C20H25N3O5S — CID 60566565

IUPAC5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C20H25N3O5S/c1-4-22(5-2)29(27,28)18-11-6-15(3)19(14-18)20(24)21-13-12-16-7-9-17(10-8-16)23(25)26/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,24)
InChIKeyIGDJJWZAJPZFSK-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.91
Rot. Bonds9

About 5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide

5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide (PubChem CID 60566565) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide
PubChem CID60566565
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C20H25N3O5S/c1-4-22(5-2)29(27,28)18-11-6-15(3)19(14-18)20(24)21-13-12-16-7-9-17(10-8-16)23(25)26/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,24)
InChIKeyIGDJJWZAJPZFSK-UHFFFAOYSA-N
XLogP2.91
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
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

N-(2-aminoethyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119382998
2-chloro-5-(diethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 7732727
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2,5-dimethylbenzamide
CID 9474464
N-(3-aminobutyl)-5-(diethylsulfamoyl)-2-methylbenzamide
CID 119496133
5-(diethylsulfamoyl)-2-methyl-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzamide
CID 56546854
5-(dimethylsulfamoyl)-2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17488969
2-methyl-N-[2-(3-methylphenyl)ethyl]-5-nitrobenzamide
CID 60611649
N-[(3-chlorophenyl)methyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 9165368
5-(diethylsulfamoyl)-N,N-diethyl-2-methylbenzamide
CID 78777279
5-(diethylsulfamoyl)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzamide
CID 48731409
5-(diethylsulfamoyl)-2-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 26177992
N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-5-(diethylsulfamoyl)-2-methylbenzamide
CID 55737455

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide (CID 60566565) is 5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide?
The InChIKey is IGDJJWZAJPZFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-4-22(5-2)29(27,28)18-11-6-15(3)19(14-18)20(24)21-13-12-16-7-9-17(10-8-16)23(25)26/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,24).
What are the key properties of 5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide?
5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide has a molecular weight of 419.50 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide is sourced from PubChem (CID 60566565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).