N-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide

C18H20N2O4S — CID 173217037

IUPACN-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide
SMILESCCNCC(=O)C(C)NS(=O)(=O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H20N2O4S/c1-3-19-11-16(21)12(2)20-25(22,23)13-8-9-18-15(10-13)14-6-4-5-7-17(14)24-18/h4-10,12,19-20H,3,11H2,1-2H3
InChIKeyHOMSFJVPVGAUCV-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.43
Rot. Bonds7

About N-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide

N-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide (PubChem CID 173217037) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide
PubChem CID173217037
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide
SMILESCCNCC(=O)C(C)NS(=O)(=O)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C18H20N2O4S/c1-3-19-11-16(21)12(2)20-25(22,23)13-8-9-18-15(10-13)14-6-4-5-7-17(14)24-18/h4-10,12,19-20H,3,11H2,1-2H3
InChIKeyHOMSFJVPVGAUCV-UHFFFAOYSA-N
XLogP2.43
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid
CID 22394556
(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanoic acid
CID 142643143
(2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid
CID 141017674
2-(dibenzofuran-2-ylsulfonylamino)-4-fluoro-4-methylpentanoic acid
CID 166666861
N-hydroxydibenzofuran-2-sulfonamide
CID 90297905
(2S)-2-(dibenzofuran-2-ylsulfonylamino)pentanedioic acid
CID 54105476
2-(dibenzofuran-2-ylsulfonylamino)-4-sulfanylbutanoic acid
CID 23288344
2-(dibenzofuran-2-ylsulfonylamino)-5-[(4-methylphenyl)sulfanylamino]pentanoic acid
CID 54121910
benzyl N-[(4S,6S)-6-amino-8-(dibenzofuran-2-ylsulfonylamino)-7-hydroxy-2-methyl-5-oxononan-4-yl]carbamate
CID 70008201
N-[(3S)-7-methoxy-3,7-dimethyloctyl]dibenzofuran-2-sulfonamide
CID 7310618
N-[3-oxo-2-(phenoxymethyl)-4-phenylbutyl]dibenzofuran-2-sulfonamide
CID 70190391
(2R)-2-amino-N-dibenzofuran-2-ylpropanamide
CID 54996249

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide?
The IUPAC name of N-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide (CID 173217037) is N-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide.
What is the SMILES notation for N-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide?
The canonical SMILES for N-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide is CCNCC(=O)C(C)NS(=O)(=O)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide?
The InChIKey is HOMSFJVPVGAUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-3-19-11-16(21)12(2)20-25(22,23)13-8-9-18-15(10-13)14-6-4-5-7-17(14)24-18/h4-10,12,19-20H,3,11H2,1-2H3.
What are the key properties of N-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide?
N-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)-3-oxobutan-2-yl]dibenzofuran-2-sulfonamide is sourced from PubChem (CID 173217037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).