N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide

C18H19NO4S — CID 41148685

IUPACN-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C18H19NO4S/c1-12(2)24(22,23)17-10-6-15(7-11-17)18(21)19-16-8-4-14(5-9-16)13(3)20/h4-12H,1-3H3,(H,19,21)
InChIKeySRHQZQHTJGXRSY-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.32
Rot. Bonds5

About N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide

N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide (PubChem CID 41148685) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide
PubChem CID41148685
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC NameN-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C18H19NO4S/c1-12(2)24(22,23)17-10-6-15(7-11-17)18(21)19-16-8-4-14(5-9-16)13(3)20/h4-12H,1-3H3,(H,19,21)
InChIKeySRHQZQHTJGXRSY-UHFFFAOYSA-N
XLogP3.32
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148675
N-phenyl-4-propan-2-ylsulfonylbenzamide
CID 41148668
N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838380
3,4-difluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
CID 110778734
3-[4-[(4-propan-2-ylsulfonylbenzoyl)amino]phenyl]propanoic acid
CID 119252260
propyl 4-[(4-propan-2-ylsulfonylbenzoyl)amino]benzoate
CID 55755393
4-acetamido-N-[4-(difluoromethylsulfonyl)phenyl]benzamide
CID 26898710
N-(4-acetylphenyl)-4-(trifluoromethylsulfonyl)benzamide
CID 46568918
3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
CID 110778716
N-(4-acetylphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 2597397
N-(4-acetamidophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 27648936
4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55970703

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide (CID 41148685) is N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide is CC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide?
The InChIKey is SRHQZQHTJGXRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-12(2)24(22,23)17-10-6-15(7-11-17)18(21)19-16-8-4-14(5-9-16)13(3)20/h4-12H,1-3H3,(H,19,21).
What are the key properties of N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide?
N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide has a molecular weight of 345.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 41148685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).