N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide

C19H21NO4S — CID 16838380

IUPACN-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C19H21NO4S/c1-13(2)25(23,24)18-10-4-15(5-11-18)12-19(22)20-17-8-6-16(7-9-17)14(3)21/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyUJAYUADUXDKFRB-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.25
Rot. Bonds6

About N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 16838380) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID16838380
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC NameN-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C19H21NO4S/c1-13(2)25(23,24)18-10-4-15(5-11-18)12-19(22)20-17-8-6-16(7-9-17)14(3)21/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyUJAYUADUXDKFRB-UHFFFAOYSA-N
XLogP3.25
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838362
N-(4-acetylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148685
3-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenyl]propanoic acid
CID 120528412
2-[4-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]phenoxy]acetic acid
CID 120537294
2-cyano-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 115172909
2-(methylamino)-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 96678961
N-(4-acetylphenyl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 26701033
2-(3-methoxyphenyl)-N-(4-propan-2-ylsulfonylphenyl)acetamide
CID 110778748
N-(4-propan-2-ylsulfonylphenyl)pentanamide
CID 110778701
3-[4-[(4-propan-2-ylsulfonylbenzoyl)amino]phenyl]propanoic acid
CID 119252260
2-(4-methylphenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 9224098
N-(4-methylphenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148675

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 16838380) is N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(=O)c1ccc(NC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is UJAYUADUXDKFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-13(2)25(23,24)18-10-4-15(5-11-18)12-19(22)20-17-8-6-16(7-9-17)14(3)21/h4-11,13H,12H2,1-3H3,(H,20,22).
What are the key properties of N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 359.45 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 16838380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).