N-[3-oxo-2-(phenoxymethyl)-4-phenylbutyl]dibenzofuran-2-sulfonamide

C29H25NO5S — CID 70190391

IUPACN-[3-oxo-2-(phenoxymethyl)-4-phenylbutyl]dibenzofuran-2-sulfonamide
SMILESO=C(Cc1ccccc1)C(CNS(=O)(=O)c1ccc2oc3ccccc3c2c1)COc1ccccc1
InChIInChI=1S/C29H25NO5S/c31-27(17-21-9-3-1-4-10-21)22(20-34-23-11-5-2-6-12-23)19-30-36(32,33)24-15-16-29-26(18-24)25-13-7-8-14-28(25)35-29/h1-16,18,22,30H,17,19-20H2
InChIKeyKFOKDJGBNOTILB-UHFFFAOYSA-N
MW499.59 g/mol
LogP5.37
Rot. Bonds10

About N-[3-oxo-2-(phenoxymethyl)-4-phenylbutyl]dibenzofuran-2-sulfonamide

N-[3-oxo-2-(phenoxymethyl)-4-phenylbutyl]dibenzofuran-2-sulfonamide (PubChem CID 70190391) has the molecular formula C29H25NO5S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-[3-oxo-2-(phenoxymethyl)-4-phenylbutyl]dibenzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[3-oxo-2-(phenoxymethyl)-4-phenylbutyl]dibenzofuran-2-sulfonamide
PubChem CID70190391
Molecular FormulaC29H25NO5S
Molecular Weight499.59 g/mol
Exact Mass499.15
IUPAC NameN-[3-oxo-2-(phenoxymethyl)-4-phenylbutyl]dibenzofuran-2-sulfonamide
SMILESO=C(Cc1ccccc1)C(CNS(=O)(=O)c1ccc2oc3ccccc3c2c1)COc1ccccc1
InChIInChI=1S/C29H25NO5S/c31-27(17-21-9-3-1-4-10-21)22(20-34-23-11-5-2-6-12-23)19-30-36(32,33)24-15-16-29-26(18-24)25-13-7-8-14-28(25)35-29/h1-16,18,22,30H,17,19-20H2
InChIKeyKFOKDJGBNOTILB-UHFFFAOYSA-N
XLogP5.37
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 ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-hydroxydibenzofuran-2-sulfonamide
CID 90297905
2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid
CID 22394556
(2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid
CID 141017674
N-[(3S)-7-methoxy-3,7-dimethyloctyl]dibenzofuran-2-sulfonamide
CID 7310618
(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid
CID 54105476
(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid
CID 142643143
N-(5-oxo-3-phenoxy-4-phenylpentyl)dibenzofuran-2-sulfonamide
CID 151991712
3-[4-(dibenzofuran-2-ylsulfamoyl)phenyl]propanoic acid
CID 9235437
1-dibenzofuran-2-yl-2-phenylethanone
CID 15691957
N-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide
CID 173217037
2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid
CID 166666861
N-benzyl-N-[(2S)-3-dibenzofuran-2-yloxy-2-hydroxypropyl]benzenesulfonamide
CID 2356362

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-2-(phenoxymethyl)-4-phenylbutyl]dibenzofuran-2-sulfonamide?
The IUPAC name of N-[3-oxo-2-(phenoxymethyl)-4-phenylbutyl]dibenzofuran-2-sulfonamide (CID 70190391) is N-[3-oxo-2-(phenoxymethyl)-4-phenylbutyl]dibenzofuran-2-sulfonamide.
What is the SMILES notation for N-[3-oxo-2-(phenoxymethyl)-4-phenylbutyl]dibenzofuran-2-sulfonamide?
The canonical SMILES for N-[3-oxo-2-(phenoxymethyl)-4-phenylbutyl]dibenzofuran-2-sulfonamide is O=C(Cc1ccccc1)C(CNS(=O)(=O)c1ccc2oc3ccccc3c2c1)COc1ccccc1.
What is the InChIKey of N-[3-oxo-2-(phenoxymethyl)-4-phenylbutyl]dibenzofuran-2-sulfonamide?
The InChIKey is KFOKDJGBNOTILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO5S/c31-27(17-21-9-3-1-4-10-21)22(20-34-23-11-5-2-6-12-23)19-30-36(32,33)24-15-16-29-26(18-24)25-13-7-8-14-28(25)35-29/h1-16,18,22,30H,17,19-20H2.
What are the key properties of N-[3-oxo-2-(phenoxymethyl)-4-phenylbutyl]dibenzofuran-2-sulfonamide?
N-[3-oxo-2-(phenoxymethyl)-4-phenylbutyl]dibenzofuran-2-sulfonamide has a molecular weight of 499.59 g/mol, XLogP of 5.37, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-2-(phenoxymethyl)-4-phenylbutyl]dibenzofuran-2-sulfonamide is sourced from PubChem (CID 70190391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).