N-(3-acetylphenyl)sulfonyl-4-phenoxybutanamide

C18H19NO5S — CID 55823205

IUPACN-(3-acetylphenyl)sulfonyl-4-phenoxybutanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC(=O)CCCOc2ccccc2)c1
InChIInChI=1S/C18H19NO5S/c1-14(20)15-7-5-10-17(13-15)25(22,23)19-18(21)11-6-12-24-16-8-3-2-4-9-16/h2-5,7-10,13H,6,11-12H2,1H3,(H,19,21)
InChIKeyGTVUFZUVGUEECE-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.55
Rot. Bonds8

About N-(3-acetylphenyl)sulfonyl-4-phenoxybutanamide

N-(3-acetylphenyl)sulfonyl-4-phenoxybutanamide (PubChem CID 55823205) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-(3-acetylphenyl)sulfonyl-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)sulfonyl-4-phenoxybutanamide
PubChem CID55823205
Molecular FormulaC18H19NO5S
Molecular Weight361.42 g/mol
Exact Mass361.10
IUPAC NameN-(3-acetylphenyl)sulfonyl-4-phenoxybutanamide
SMILESCC(=O)c1cccc(S(=O)(=O)NC(=O)CCCOc2ccccc2)c1
InChIInChI=1S/C18H19NO5S/c1-14(20)15-7-5-10-17(13-15)25(22,23)19-18(21)11-6-12-24-16-8-3-2-4-9-16/h2-5,7-10,13H,6,11-12H2,1H3,(H,19,21)
InChIKeyGTVUFZUVGUEECE-UHFFFAOYSA-N
XLogP2.55
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-acetylphenoxy)-N-propan-2-ylsulfonylbutanamide
CID 48910823
3-[(3-acetylphenyl)sulfonylamino]-N-[3-(3-methylphenoxy)propyl]propanamide
CID 30947686
2-[4-(3-acetylphenoxy)butanoylamino]propanoic acid
CID 119225405
methyl 3-(2-phenoxyethylsulfamoyl)benzoate
CID 35609145
(2S,3S)-2-[4-(3-acetylphenoxy)butanoylamino]-3-methylpentanoic acid
CID 119194094
(2R)-2-[4-(3-acetylphenoxy)butanoylamino]-3-phenylpropanoic acid
CID 119367312
3-acetyl-N-(2-phenoxyphenyl)benzenesulfonamide
CID 2451069
N-(3-chlorophenyl)sulfonyl-4-ethoxybutanamide
CID 47269873
(2R)-2-[4-(3-acetylphenoxy)butanoylamino]-4-methylpentanoic acid
CID 119364270
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
N'-acetyl-4-phenoxybutanehydrazide
CID 30905746
4-(3-acetylphenoxy)-N-(1-amino-2-methylpropan-2-yl)butanamide
CID 119524189

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)sulfonyl-4-phenoxybutanamide?
The IUPAC name of N-(3-acetylphenyl)sulfonyl-4-phenoxybutanamide (CID 55823205) is N-(3-acetylphenyl)sulfonyl-4-phenoxybutanamide.
What is the SMILES notation for N-(3-acetylphenyl)sulfonyl-4-phenoxybutanamide?
The canonical SMILES for N-(3-acetylphenyl)sulfonyl-4-phenoxybutanamide is CC(=O)c1cccc(S(=O)(=O)NC(=O)CCCOc2ccccc2)c1.
What is the InChIKey of N-(3-acetylphenyl)sulfonyl-4-phenoxybutanamide?
The InChIKey is GTVUFZUVGUEECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-14(20)15-7-5-10-17(13-15)25(22,23)19-18(21)11-6-12-24-16-8-3-2-4-9-16/h2-5,7-10,13H,6,11-12H2,1H3,(H,19,21).
What are the key properties of N-(3-acetylphenyl)sulfonyl-4-phenoxybutanamide?
N-(3-acetylphenyl)sulfonyl-4-phenoxybutanamide has a molecular weight of 361.42 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)sulfonyl-4-phenoxybutanamide is sourced from PubChem (CID 55823205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).