4-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenylmethoxybutanamide

C20H24N2O5S — CID 18290578

IUPAC4-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenylmethoxybutanamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NOCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-16(23)18-10-12-19(13-11-18)28(25,26)22(2)14-6-9-20(24)21-27-15-17-7-4-3-5-8-17/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H,21,24)
InChIKeyQENZIFNEMXKBSS-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.54
Rot. Bonds10

About 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenylmethoxybutanamide

4-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenylmethoxybutanamide (PubChem CID 18290578) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenylmethoxybutanamide.

Molecular Properties

Compound Name4-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenylmethoxybutanamide
PubChem CID18290578
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name4-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenylmethoxybutanamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NOCc2ccccc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-16(23)18-10-12-19(13-11-18)28(25,26)22(2)14-6-9-20(24)21-27-15-17-7-4-3-5-8-17/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H,21,24)
InChIKeyQENZIFNEMXKBSS-UHFFFAOYSA-N
XLogP2.54
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenylmethoxybutanamide?
The IUPAC name of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenylmethoxybutanamide (CID 18290578) is 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenylmethoxybutanamide.
What is the SMILES notation for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenylmethoxybutanamide?
The canonical SMILES for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenylmethoxybutanamide is CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NOCc2ccccc2)cc1.
What is the InChIKey of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenylmethoxybutanamide?
The InChIKey is QENZIFNEMXKBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-16(23)18-10-12-19(13-11-18)28(25,26)22(2)14-6-9-20(24)21-27-15-17-7-4-3-5-8-17/h3-5,7-8,10-13H,6,9,14-15H2,1-2H3,(H,21,24).
What are the key properties of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenylmethoxybutanamide?
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenylmethoxybutanamide has a molecular weight of 404.49 g/mol, XLogP of 2.54, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-phenylmethoxybutanamide is sourced from PubChem (CID 18290578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).