4-(tert-butylsulfamoyl)-N-(1-phenylbutyl)benzamide

C21H28N2O3S — CID 24547890

IUPAC4-(tert-butylsulfamoyl)-N-(1-phenylbutyl)benzamide
SMILESCCCC(NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C21H28N2O3S/c1-5-9-19(16-10-7-6-8-11-16)22-20(24)17-12-14-18(15-13-17)27(25,26)23-21(2,3)4/h6-8,10-15,19,23H,5,9H2,1-4H3,(H,22,24)
InChIKeyCQCXMIBLUNLZHW-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.03
Rot. Bonds7

About 4-(tert-butylsulfamoyl)-N-(1-phenylbutyl)benzamide

4-(tert-butylsulfamoyl)-N-(1-phenylbutyl)benzamide (PubChem CID 24547890) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)-N-(1-phenylbutyl)benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)-N-(1-phenylbutyl)benzamide
PubChem CID24547890
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name4-(tert-butylsulfamoyl)-N-(1-phenylbutyl)benzamide
SMILESCCCC(NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C21H28N2O3S/c1-5-9-19(16-10-7-6-8-11-16)22-20(24)17-12-14-18(15-13-17)27(25,26)23-21(2,3)4/h6-8,10-15,19,23H,5,9H2,1-4H3,(H,22,24)
InChIKeyCQCXMIBLUNLZHW-UHFFFAOYSA-N
XLogP4.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-(1-phenylbutyl)benzamide
CID 24547843
N-(1-phenylbutyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 24547891
2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetic acid
CID 119113387
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
tert-butyl (2S)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-2-phenylacetate
CID 71914932
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
N-(3-methyl-1-phenylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 46568326
4-methoxy-N-(1-phenylbutyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46655114
N-[4-(diethylamino)-4-oxo-1-phenylbutyl]benzamide
CID 101474890
4-[[(2R)-butan-2-yl]sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 9315245
4-[[(2S)-butan-2-yl]sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 9315248
3,5-dinitro-N-(1-phenylbutyl)benzamide
CID 71330970

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)-N-(1-phenylbutyl)benzamide?
The IUPAC name of 4-(tert-butylsulfamoyl)-N-(1-phenylbutyl)benzamide (CID 24547890) is 4-(tert-butylsulfamoyl)-N-(1-phenylbutyl)benzamide.
What is the SMILES notation for 4-(tert-butylsulfamoyl)-N-(1-phenylbutyl)benzamide?
The canonical SMILES for 4-(tert-butylsulfamoyl)-N-(1-phenylbutyl)benzamide is CCCC(NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of 4-(tert-butylsulfamoyl)-N-(1-phenylbutyl)benzamide?
The InChIKey is CQCXMIBLUNLZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-5-9-19(16-10-7-6-8-11-16)22-20(24)17-12-14-18(15-13-17)27(25,26)23-21(2,3)4/h6-8,10-15,19,23H,5,9H2,1-4H3,(H,22,24).
What are the key properties of 4-(tert-butylsulfamoyl)-N-(1-phenylbutyl)benzamide?
4-(tert-butylsulfamoyl)-N-(1-phenylbutyl)benzamide has a molecular weight of 388.53 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)-N-(1-phenylbutyl)benzamide is sourced from PubChem (CID 24547890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).