4-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide

C18H27F3N2O3S — CID 56531024

IUPAC4-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N(CC(C)(C)C)CC(F)(F)F)cc1
InChIInChI=1S/C18H27F3N2O3S/c1-6-23(7-2)27(25,26)15-10-8-14(9-11-15)16(24)22(12-17(3,4)5)13-18(19,20)21/h8-11H,6-7,12-13H2,1-5H3
InChIKeyXUJHUKWGSAKURD-UHFFFAOYSA-N
MW408.49 g/mol
LogP3.77
Rot. Bonds7

About 4-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide

4-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 56531024) has the molecular formula C18H27F3N2O3S and a molecular weight of 408.49 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID56531024
Molecular FormulaC18H27F3N2O3S
Molecular Weight408.49 g/mol
Exact Mass408.17
IUPAC Name4-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)N(CC(C)(C)C)CC(F)(F)F)cc1
InChIInChI=1S/C18H27F3N2O3S/c1-6-23(7-2)27(25,26)15-10-8-14(9-11-15)16(24)22(12-17(3,4)5)13-18(19,20)21/h8-11H,6-7,12-13H2,1-5H3
InChIKeyXUJHUKWGSAKURD-UHFFFAOYSA-N
XLogP3.77
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 86933981
N-(2,2-dimethylpropyl)-4-[ethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 86890747
3,4-dichloro-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 56531152
4-(diethylsulfamoyl)-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzamide
CID 56724224
4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]benzamide
CID 51098722
N-benzyl-4-(diethylsulfamoyl)-N-propylbenzamide
CID 55344716
4-(dipropylsulfamoyl)-N-(2-methylpropanoyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 162401653
methyl 4-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 79378667
5-(diethylsulfamoyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55675449
N-ethyl-4-propan-2-yl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858694
4-carbamothioyl-N-ethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55009098
N,N-diethyl-4-[[(4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 2093173

Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 56531024) is 4-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)N(CC(C)(C)C)CC(F)(F)F)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is XUJHUKWGSAKURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N2O3S/c1-6-23(7-2)27(25,26)15-10-8-14(9-11-15)16(24)22(12-17(3,4)5)13-18(19,20)21/h8-11H,6-7,12-13H2,1-5H3.
What are the key properties of 4-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
4-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 408.49 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 56531024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).