3-acetamido-N-(4-methylsulfonylphenyl)-3-phenylpropanamide

C18H20N2O4S — CID 4790507

IUPAC3-acetamido-N-(4-methylsulfonylphenyl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C18H20N2O4S/c1-13(21)19-17(14-6-4-3-5-7-14)12-18(22)20-15-8-10-16(11-9-15)25(2,23)24/h3-11,17H,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyWFEAKZGGZDTDPL-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.30
Rot. Bonds6

About 3-acetamido-N-(4-methylsulfonylphenyl)-3-phenylpropanamide

3-acetamido-N-(4-methylsulfonylphenyl)-3-phenylpropanamide (PubChem CID 4790507) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-acetamido-N-(4-methylsulfonylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-(4-methylsulfonylphenyl)-3-phenylpropanamide
PubChem CID4790507
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name3-acetamido-N-(4-methylsulfonylphenyl)-3-phenylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C18H20N2O4S/c1-13(21)19-17(14-6-4-3-5-7-14)12-18(22)20-15-8-10-16(11-9-15)25(2,23)24/h3-11,17H,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyWFEAKZGGZDTDPL-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(4-methylsulfonylphenyl)-3-phenylpropanamide?
The IUPAC name of 3-acetamido-N-(4-methylsulfonylphenyl)-3-phenylpropanamide (CID 4790507) is 3-acetamido-N-(4-methylsulfonylphenyl)-3-phenylpropanamide.
What is the SMILES notation for 3-acetamido-N-(4-methylsulfonylphenyl)-3-phenylpropanamide?
The canonical SMILES for 3-acetamido-N-(4-methylsulfonylphenyl)-3-phenylpropanamide is CC(=O)NC(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 3-acetamido-N-(4-methylsulfonylphenyl)-3-phenylpropanamide?
The InChIKey is WFEAKZGGZDTDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-13(21)19-17(14-6-4-3-5-7-14)12-18(22)20-15-8-10-16(11-9-15)25(2,23)24/h3-11,17H,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 3-acetamido-N-(4-methylsulfonylphenyl)-3-phenylpropanamide?
3-acetamido-N-(4-methylsulfonylphenyl)-3-phenylpropanamide has a molecular weight of 360.44 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(4-methylsulfonylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 4790507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).