4-[(4-ethylphenyl)sulfamoyl]-N,N-dipropylbenzamide

C21H28N2O3S — CID 109061565

IUPAC4-[(4-ethylphenyl)sulfamoyl]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(S(=O)(=O)Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-4-15-23(16-5-2)21(24)18-9-13-20(14-10-18)27(25,26)22-19-11-7-17(6-3)8-12-19/h7-14,22H,4-6,15-16H2,1-3H3
InChIKeyFKEKBYQEZRGMOD-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.31
Rot. Bonds9

About 4-[(4-ethylphenyl)sulfamoyl]-N,N-dipropylbenzamide

4-[(4-ethylphenyl)sulfamoyl]-N,N-dipropylbenzamide (PubChem CID 109061565) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 4-[(4-ethylphenyl)sulfamoyl]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[(4-ethylphenyl)sulfamoyl]-N,N-dipropylbenzamide
PubChem CID109061565
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name4-[(4-ethylphenyl)sulfamoyl]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(S(=O)(=O)Nc2ccc(CC)cc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-4-15-23(16-5-2)21(24)18-9-13-20(14-10-18)27(25,26)22-19-11-7-17(6-3)8-12-19/h7-14,22H,4-6,15-16H2,1-3H3
InChIKeyFKEKBYQEZRGMOD-UHFFFAOYSA-N
XLogP4.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbenzamide
CID 29373604
4-[(4-fluorophenyl)sulfamoyl]-N,N-dipropylbenzamide
CID 29373554
methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate
CID 26487109
N-butyl-4-[(4-ethylphenyl)sulfamoyl]benzamide
CID 109058620
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N,N-dipropylbenzamide
CID 29373491
4-[(4-methylphenyl)sulfamoyl]-N,N-bis(2-phenylethyl)benzamide
CID 2343621
N-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24546779
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
N-ethyl-N-(2-phenylethyl)-4-(phenylsulfamoyl)benzamide
CID 55587739
4-ethyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 110602635

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenyl)sulfamoyl]-N,N-dipropylbenzamide?
The IUPAC name of 4-[(4-ethylphenyl)sulfamoyl]-N,N-dipropylbenzamide (CID 109061565) is 4-[(4-ethylphenyl)sulfamoyl]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[(4-ethylphenyl)sulfamoyl]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[(4-ethylphenyl)sulfamoyl]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(S(=O)(=O)Nc2ccc(CC)cc2)cc1.
What is the InChIKey of 4-[(4-ethylphenyl)sulfamoyl]-N,N-dipropylbenzamide?
The InChIKey is FKEKBYQEZRGMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-4-15-23(16-5-2)21(24)18-9-13-20(14-10-18)27(25,26)22-19-11-7-17(6-3)8-12-19/h7-14,22H,4-6,15-16H2,1-3H3.
What are the key properties of 4-[(4-ethylphenyl)sulfamoyl]-N,N-dipropylbenzamide?
4-[(4-ethylphenyl)sulfamoyl]-N,N-dipropylbenzamide has a molecular weight of 388.53 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenyl)sulfamoyl]-N,N-dipropylbenzamide is sourced from PubChem (CID 109061565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).