N-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide

C18H20N2O4S — CID 16592625

IUPACN-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C18H20N2O4S/c1-12(2)20-25(23,24)15-10-8-14(9-11-15)18(22)19-17-7-5-4-6-16(17)13(3)21/h4-12,20H,1-3H3,(H,19,22)
InChIKeyCCGIPTRAMAEDEJ-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.83
Rot. Bonds6

About N-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide

N-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide (PubChem CID 16592625) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
PubChem CID16592625
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C18H20N2O4S/c1-12(2)20-25(23,24)15-10-8-14(9-11-15)18(22)19-17-7-5-4-6-16(17)13(3)21/h4-12,20H,1-3H3,(H,19,22)
InChIKeyCCGIPTRAMAEDEJ-UHFFFAOYSA-N
XLogP2.83
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 24592548
2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55492050
N-(2-acetylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8749517
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
N-[2-(azepan-1-yl)phenyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 38282657
N-(2-acetylphenyl)-4-phenylbenzamide
CID 4799727
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
4-(propan-2-ylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 16591110
2-[[4-(benzenesulfonamido)benzoyl]amino]-N-propan-2-ylbenzamide
CID 2979282
N-(2,6-difluorophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 51309792
N-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 26067648
N-ethyl-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 35304004

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide (CID 16592625) is N-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide is CC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of N-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is CCGIPTRAMAEDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-12(2)20-25(23,24)15-10-8-14(9-11-15)18(22)19-17-7-5-4-6-16(17)13(3)21/h4-12,20H,1-3H3,(H,19,22).
What are the key properties of N-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide?
N-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 360.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-4-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 16592625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).