2-dibenzofuran-2-ylsulfanyl-N-morpholin-4-ylacetamide

C18H18N2O3S — CID 11638721

IUPAC2-dibenzofuran-2-ylsulfanyl-N-morpholin-4-ylacetamide
SMILESO=C(CSc1ccc2oc3ccccc3c2c1)NN1CCOCC1
InChIInChI=1S/C18H18N2O3S/c21-18(19-20-7-9-22-10-8-20)12-24-13-5-6-17-15(11-13)14-3-1-2-4-16(14)23-17/h1-6,11H,7-10,12H2,(H,19,21)
InChIKeyYRLNKMBFNMNALI-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.04
Rot. Bonds4

About 2-dibenzofuran-2-ylsulfanyl-N-morpholin-4-ylacetamide

2-dibenzofuran-2-ylsulfanyl-N-morpholin-4-ylacetamide (PubChem CID 11638721) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-dibenzofuran-2-ylsulfanyl-N-morpholin-4-ylacetamide.

Molecular Properties

Compound Name2-dibenzofuran-2-ylsulfanyl-N-morpholin-4-ylacetamide
PubChem CID11638721
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-dibenzofuran-2-ylsulfanyl-N-morpholin-4-ylacetamide
SMILESO=C(CSc1ccc2oc3ccccc3c2c1)NN1CCOCC1
InChIInChI=1S/C18H18N2O3S/c21-18(19-20-7-9-22-10-8-20)12-24-13-5-6-17-15(11-13)14-3-1-2-4-16(14)23-17/h1-6,11H,7-10,12H2,(H,19,21)
InChIKeyYRLNKMBFNMNALI-UHFFFAOYSA-N
XLogP3.04
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-2-ylsulfanyl-N-(2-hydroxyethyl)acetamide
CID 11493176
2-dibenzofuran-2-ylsulfanylpropanoic acid
CID 71395413
N-dibenzofuran-2-yl-2-pyrimidin-2-ylsulfanylacetamide
CID 8512010
2-(3,4-dimethylphenyl)sulfanyl-N-piperidin-1-ylacetamide
CID 9271687
N-(2-morpholin-4-ylethyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2634687
2-[(morpholin-4-ylamino)methyl]-1-benzofuran-3-carboxylic acid
CID 103261059
3-[(morpholin-4-ylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103261025
2-(2-fluorophenyl)sulfanyl-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]acetamide
CID 46615853
(6S,7R)-3-dibenzofuran-2-ylsulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 67658208
2-(3,4-difluorophenyl)sulfanyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8926696
2-(3,4-dimethylphenyl)sulfanyl-N-(4-methylpiperazin-1-yl)acetamide
CID 9205311
N-morpholin-4-yl-2-[4-oxo-3-(4-sulfamoylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 162647479

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-ylsulfanyl-N-morpholin-4-ylacetamide?
The IUPAC name of 2-dibenzofuran-2-ylsulfanyl-N-morpholin-4-ylacetamide (CID 11638721) is 2-dibenzofuran-2-ylsulfanyl-N-morpholin-4-ylacetamide.
What is the SMILES notation for 2-dibenzofuran-2-ylsulfanyl-N-morpholin-4-ylacetamide?
The canonical SMILES for 2-dibenzofuran-2-ylsulfanyl-N-morpholin-4-ylacetamide is O=C(CSc1ccc2oc3ccccc3c2c1)NN1CCOCC1.
What is the InChIKey of 2-dibenzofuran-2-ylsulfanyl-N-morpholin-4-ylacetamide?
The InChIKey is YRLNKMBFNMNALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c21-18(19-20-7-9-22-10-8-20)12-24-13-5-6-17-15(11-13)14-3-1-2-4-16(14)23-17/h1-6,11H,7-10,12H2,(H,19,21).
What are the key properties of 2-dibenzofuran-2-ylsulfanyl-N-morpholin-4-ylacetamide?
2-dibenzofuran-2-ylsulfanyl-N-morpholin-4-ylacetamide has a molecular weight of 342.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-ylsulfanyl-N-morpholin-4-ylacetamide is sourced from PubChem (CID 11638721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).