3-(4-acetamidophenyl)sulfonyl-N-butan-2-ylpropanamide

C15H22N2O4S — CID 110406865

IUPAC3-(4-acetamidophenyl)sulfonyl-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-4-11(2)16-15(19)9-10-22(20,21)14-7-5-13(6-8-14)17-12(3)18/h5-8,11H,4,9-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyCRGPEFVHFXEXGK-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.72
Rot. Bonds7

About 3-(4-acetamidophenyl)sulfonyl-N-butan-2-ylpropanamide

3-(4-acetamidophenyl)sulfonyl-N-butan-2-ylpropanamide (PubChem CID 110406865) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-(4-acetamidophenyl)sulfonyl-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-acetamidophenyl)sulfonyl-N-butan-2-ylpropanamide
PubChem CID110406865
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name3-(4-acetamidophenyl)sulfonyl-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-4-11(2)16-15(19)9-10-22(20,21)14-7-5-13(6-8-14)17-12(3)18/h5-8,11H,4,9-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyCRGPEFVHFXEXGK-UHFFFAOYSA-N
XLogP1.72
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
N-[4-(butan-2-ylcarbamothioylamino)phenyl]acetamide
CID 43427098
3-(4-acetamidophenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 110633485
2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 2124176
3-(4-acetamidophenyl)sulfonyl-N,N-dipropylpropanamide
CID 110416392
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide
CID 8961396
3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide
CID 110419509
N-[(2S)-butan-2-yl]-2-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide
CID 39996049
3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide
CID 110420476

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidophenyl)sulfonyl-N-butan-2-ylpropanamide?
The IUPAC name of 3-(4-acetamidophenyl)sulfonyl-N-butan-2-ylpropanamide (CID 110406865) is 3-(4-acetamidophenyl)sulfonyl-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-(4-acetamidophenyl)sulfonyl-N-butan-2-ylpropanamide?
The canonical SMILES for 3-(4-acetamidophenyl)sulfonyl-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 3-(4-acetamidophenyl)sulfonyl-N-butan-2-ylpropanamide?
The InChIKey is CRGPEFVHFXEXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-4-11(2)16-15(19)9-10-22(20,21)14-7-5-13(6-8-14)17-12(3)18/h5-8,11H,4,9-10H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 3-(4-acetamidophenyl)sulfonyl-N-butan-2-ylpropanamide?
3-(4-acetamidophenyl)sulfonyl-N-butan-2-ylpropanamide has a molecular weight of 326.42 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidophenyl)sulfonyl-N-butan-2-ylpropanamide is sourced from PubChem (CID 110406865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).