4-[3-[4-(diethylsulfamoyl)phenyl]propanoyl-methylamino]benzamide

C21H27N3O4S — CID 55903574

IUPAC4-[3-[4-(diethylsulfamoyl)phenyl]propanoyl-methylamino]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C21H27N3O4S/c1-4-24(5-2)29(27,28)19-13-6-16(7-14-19)8-15-20(25)23(3)18-11-9-17(10-12-18)21(22)26/h6-7,9-14H,4-5,8,15H2,1-3H3,(H2,22,26)
InChIKeyYGSICOKFLZKIGW-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.41
Rot. Bonds9

About 4-[3-[4-(diethylsulfamoyl)phenyl]propanoyl-methylamino]benzamide

4-[3-[4-(diethylsulfamoyl)phenyl]propanoyl-methylamino]benzamide (PubChem CID 55903574) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 4-[3-[4-(diethylsulfamoyl)phenyl]propanoyl-methylamino]benzamide.

Molecular Properties

Compound Name4-[3-[4-(diethylsulfamoyl)phenyl]propanoyl-methylamino]benzamide
PubChem CID55903574
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name4-[3-[4-(diethylsulfamoyl)phenyl]propanoyl-methylamino]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C21H27N3O4S/c1-4-24(5-2)29(27,28)19-13-6-16(7-14-19)8-15-20(25)23(3)18-11-9-17(10-12-18)21(22)26/h6-7,9-14H,4-5,8,15H2,1-3H3,(H2,22,26)
InChIKeyYGSICOKFLZKIGW-UHFFFAOYSA-N
XLogP2.41
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(diethylsulfamoyl)phenyl]-N-(3,4-difluorophenyl)-N-methylpropanamide
CID 60576277
N-(4-carbamoylphenyl)-5-(diethylsulfamoyl)-2-fluoro-N-methylbenzamide
CID 55903058
3-[4-(diethylsulfamoyl)phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 31337257
[2-(N-methylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2431081
N-(3-amino-4-methylpentyl)-3-[4-(diethylsulfamoyl)phenyl]-N-methylpropanamide;hydrochloride
CID 119658419
4-[ethyl(hydroxy)sulfamoyl]benzamide
CID 91012297
3-[4-(diethylsulfamoyl)phenyl]-N-(3-hydroxypropyl)propanamide
CID 78821548
N-[2-(diethylamino)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55393884
4-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-N,N-diethylbenzenesulfonamide
CID 35020823
4-(dimethylamino)-N,N-diethylbenzenesulfonamide
CID 11043368
[2-oxo-2-(4-propylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate
CID 55314582
N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(4-fluorophenyl)propanamide
CID 31747284

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(diethylsulfamoyl)phenyl]propanoyl-methylamino]benzamide?
The IUPAC name of 4-[3-[4-(diethylsulfamoyl)phenyl]propanoyl-methylamino]benzamide (CID 55903574) is 4-[3-[4-(diethylsulfamoyl)phenyl]propanoyl-methylamino]benzamide.
What is the SMILES notation for 4-[3-[4-(diethylsulfamoyl)phenyl]propanoyl-methylamino]benzamide?
The canonical SMILES for 4-[3-[4-(diethylsulfamoyl)phenyl]propanoyl-methylamino]benzamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N(C)c2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[3-[4-(diethylsulfamoyl)phenyl]propanoyl-methylamino]benzamide?
The InChIKey is YGSICOKFLZKIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-4-24(5-2)29(27,28)19-13-6-16(7-14-19)8-15-20(25)23(3)18-11-9-17(10-12-18)21(22)26/h6-7,9-14H,4-5,8,15H2,1-3H3,(H2,22,26).
What are the key properties of 4-[3-[4-(diethylsulfamoyl)phenyl]propanoyl-methylamino]benzamide?
4-[3-[4-(diethylsulfamoyl)phenyl]propanoyl-methylamino]benzamide has a molecular weight of 417.53 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(diethylsulfamoyl)phenyl]propanoyl-methylamino]benzamide is sourced from PubChem (CID 55903574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).