4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide

C20H25N3O4S — CID 8698718

IUPAC4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-5-23(6-2)28(26,27)18-13-9-15(10-14-18)19(24)21-17-11-7-16(8-12-17)20(25)22(3)4/h7-14H,5-6H2,1-4H3,(H,21,24)
InChIKeyZQRJSXIHQJASKD-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.67
Rot. Bonds7

About 4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide

4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide (PubChem CID 8698718) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
PubChem CID8698718
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O4S/c1-5-23(6-2)28(26,27)18-13-9-15(10-14-18)19(24)21-17-11-7-16(8-12-17)20(25)22(3)4/h7-14H,5-6H2,1-4H3,(H,21,24)
InChIKeyZQRJSXIHQJASKD-UHFFFAOYSA-N
XLogP2.67
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 38253660
4-(diethylsulfamoyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 38402732
N-[4-(diethylsulfamoyl)phenyl]-4-(propan-2-yloxymethyl)benzamide
CID 8615900
N-[4-(diethylsulfamoyl)phenyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 2227381
N-[4-(diethylsulfamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 3586249
4-(diethylsulfamoyl)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17308419
4-acetamido-N-[3-(diethylsulfamoyl)phenyl]benzamide
CID 7760016
N-(1,3-benzodioxol-5-yl)-4-(diethylsulfamoyl)benzamide
CID 2582581
N-[4-(diethylsulfamoyl)phenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 41468608

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide (CID 8698718) is 4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1.
What is the InChIKey of 4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide?
The InChIKey is ZQRJSXIHQJASKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-5-23(6-2)28(26,27)18-13-9-15(10-14-18)19(24)21-17-11-7-16(8-12-17)20(25)22(3)4/h7-14H,5-6H2,1-4H3,(H,21,24).
What are the key properties of 4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide?
4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide has a molecular weight of 403.50 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 8698718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).