N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide

C23H32N2O3S — CID 54782075

IUPACN-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C23H32N2O3S/c1-16(2)15-18-7-9-19(10-8-18)17(3)22(26)24-20-11-13-21(14-12-20)29(27,28)25-23(4,5)6/h7-14,16-17,25H,15H2,1-6H3,(H,24,26)
InChIKeyNQMXVGIXVMUXGK-UHFFFAOYSA-N
MW416.59 g/mol
LogP4.70
Rot. Bonds7

About N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide

N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 54782075) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID54782075
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC NameN-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C23H32N2O3S/c1-16(2)15-18-7-9-19(10-8-18)17(3)22(26)24-20-11-13-21(14-12-20)29(27,28)25-23(4,5)6/h7-14,16-17,25H,15H2,1-6H3,(H,24,26)
InChIKeyNQMXVGIXVMUXGK-UHFFFAOYSA-N
XLogP4.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7313989
2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
CID 54781151
(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 25019148
N-[4-(tert-butylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 1295481
(2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228270
(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228330
(2S)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228329
N-butan-2-yl-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide
CID 54782303
2-[4-(2-methylpropyl)phenyl]-N-[3-(propanoylamino)phenyl]propanamide
CID 54782349
N-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782020
propyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate
CID 54782126

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 54782075) is N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc(C(C)C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1.
What is the InChIKey of N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is NQMXVGIXVMUXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-16(2)15-18-7-9-19(10-8-18)17(3)22(26)24-20-11-13-21(14-12-20)29(27,28)25-23(4,5)6/h7-14,16-17,25H,15H2,1-6H3,(H,24,26).
What are the key properties of N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 416.59 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 54782075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).