N-(5-oxo-3-phenoxy-4-phenylpentyl)dibenzofuran-2-sulfonamide

C29H25NO5S — CID 151991712

IUPACN-(5-oxo-3-phenoxy-4-phenylpentyl)dibenzofuran-2-sulfonamide
SMILESO=CC(c1ccccc1)C(CCNS(=O)(=O)c1ccc2oc3ccccc3c2c1)Oc1ccccc1
InChIInChI=1S/C29H25NO5S/c31-20-26(21-9-3-1-4-10-21)29(34-22-11-5-2-6-12-22)17-18-30-36(32,33)23-15-16-28-25(19-23)24-13-7-8-14-27(24)35-28/h1-16,19-20,26,29-30H,17-18H2
InChIKeyUEUTWGNLMSCCLG-UHFFFAOYSA-N
MW499.59 g/mol
LogP5.68
Rot. Bonds10

About N-(5-oxo-3-phenoxy-4-phenylpentyl)dibenzofuran-2-sulfonamide

N-(5-oxo-3-phenoxy-4-phenylpentyl)dibenzofuran-2-sulfonamide (PubChem CID 151991712) has the molecular formula C29H25NO5S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-(5-oxo-3-phenoxy-4-phenylpentyl)dibenzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-(5-oxo-3-phenoxy-4-phenylpentyl)dibenzofuran-2-sulfonamide
PubChem CID151991712
Molecular FormulaC29H25NO5S
Molecular Weight499.59 g/mol
Exact Mass499.15
IUPAC NameN-(5-oxo-3-phenoxy-4-phenylpentyl)dibenzofuran-2-sulfonamide
SMILESO=CC(c1ccccc1)C(CCNS(=O)(=O)c1ccc2oc3ccccc3c2c1)Oc1ccccc1
InChIInChI=1S/C29H25NO5S/c31-20-26(21-9-3-1-4-10-21)29(34-22-11-5-2-6-12-22)17-18-30-36(32,33)23-15-16-28-25(19-23)24-13-7-8-14-27(24)35-28/h1-16,19-20,26,29-30H,17-18H2
InChIKeyUEUTWGNLMSCCLG-UHFFFAOYSA-N
XLogP5.68
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.59
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(5-oxo-3-phenoxy-4-phenylpentyl)dibenzofuran-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S)-7-methoxy-3,7-dimethyloctyl]dibenzofuran-2-sulfonamide
CID 7310618
N-[3-oxo-2-(phenoxymethyl)-4-phenylbutyl]dibenzofuran-2-sulfonamide
CID 70190391
N-hydroxydibenzofuran-2-sulfonamide
CID 90297905
N-(2-benzhydryl-6-sulfanylphenyl)dibenzofuran-2-sulfonamide
CID 173251817
2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid
CID 22394556
(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid
CID 142643143
2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid
CID 23288344
(2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid
CID 141017674
N-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide
CID 173217037
2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid
CID 166666861
N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide
CID 7938232
N-(3-hydroxy-3-phenylpropyl)naphthalene-2-sulfonamide
CID 90499632

Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-3-phenoxy-4-phenylpentyl)dibenzofuran-2-sulfonamide?
The IUPAC name of N-(5-oxo-3-phenoxy-4-phenylpentyl)dibenzofuran-2-sulfonamide (CID 151991712) is N-(5-oxo-3-phenoxy-4-phenylpentyl)dibenzofuran-2-sulfonamide.
What is the SMILES notation for N-(5-oxo-3-phenoxy-4-phenylpentyl)dibenzofuran-2-sulfonamide?
The canonical SMILES for N-(5-oxo-3-phenoxy-4-phenylpentyl)dibenzofuran-2-sulfonamide is O=CC(c1ccccc1)C(CCNS(=O)(=O)c1ccc2oc3ccccc3c2c1)Oc1ccccc1.
What is the InChIKey of N-(5-oxo-3-phenoxy-4-phenylpentyl)dibenzofuran-2-sulfonamide?
The InChIKey is UEUTWGNLMSCCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO5S/c31-20-26(21-9-3-1-4-10-21)29(34-22-11-5-2-6-12-22)17-18-30-36(32,33)23-15-16-28-25(19-23)24-13-7-8-14-27(24)35-28/h1-16,19-20,26,29-30H,17-18H2.
What are the key properties of N-(5-oxo-3-phenoxy-4-phenylpentyl)dibenzofuran-2-sulfonamide?
N-(5-oxo-3-phenoxy-4-phenylpentyl)dibenzofuran-2-sulfonamide has a molecular weight of 499.59 g/mol, XLogP of 5.68, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-3-phenoxy-4-phenylpentyl)dibenzofuran-2-sulfonamide is sourced from PubChem (CID 151991712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).