N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-dibenzofuran-2-yloxyacetamide

C22H18N2O4S — CID 46671265

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-dibenzofuran-2-yloxyacetamide
SMILESNC(=O)CSc1ccccc1NC(=O)COc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C22H18N2O4S/c23-21(25)13-29-20-8-4-2-6-17(20)24-22(26)12-27-14-9-10-19-16(11-14)15-5-1-3-7-18(15)28-19/h1-11H,12-13H2,(H2,23,25)(H,24,26)
InChIKeyDSTLXMPSYOCXKT-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.18
Rot. Bonds7

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-dibenzofuran-2-yloxyacetamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-dibenzofuran-2-yloxyacetamide (PubChem CID 46671265) has the molecular formula C22H18N2O4S and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-dibenzofuran-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-dibenzofuran-2-yloxyacetamide
PubChem CID46671265
Molecular FormulaC22H18N2O4S
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-dibenzofuran-2-yloxyacetamide
SMILESNC(=O)CSc1ccccc1NC(=O)COc1ccc2oc3ccccc3c2c1
InChIInChI=1S/C22H18N2O4S/c23-21(25)13-29-20-8-4-2-6-17(20)24-22(26)12-27-14-9-10-19-16(11-14)15-5-1-3-7-18(15)28-19/h1-11H,12-13H2,(H2,23,25)(H,24,26)
InChIKeyDSTLXMPSYOCXKT-UHFFFAOYSA-N
XLogP4.18
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-2-yloxy-N-(1-phenylethyl)acetamide
CID 3648980
[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] 5-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8640252
[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] 2-dibenzofuran-2-yloxyacetate
CID 27690137
2-dibenzofuran-2-yloxy-N-(4-methylsulfonylphenyl)acetamide
CID 9455805
2-dibenzofuran-2-yloxy-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 26898105
2-dibenzofuran-2-yloxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 26645002
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
2-(4-acetylphenoxy)-N-dibenzofuran-2-ylacetamide
CID 2635783
2-dibenzofuran-2-yloxy-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9245894
N-dibenzofuran-2-yl-2-(2-oxochromen-7-yl)oxyacetamide
CID 8536224
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylsulfanylphenoxy)acetamide
CID 7893725
N-dibenzofuran-3-yl-2-(4-propan-2-ylphenoxy)acetamide
CID 3150701

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-dibenzofuran-2-yloxyacetamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-dibenzofuran-2-yloxyacetamide (CID 46671265) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-dibenzofuran-2-yloxyacetamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-dibenzofuran-2-yloxyacetamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-dibenzofuran-2-yloxyacetamide is NC(=O)CSc1ccccc1NC(=O)COc1ccc2oc3ccccc3c2c1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-dibenzofuran-2-yloxyacetamide?
The InChIKey is DSTLXMPSYOCXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S/c23-21(25)13-29-20-8-4-2-6-17(20)24-22(26)12-27-14-9-10-19-16(11-14)15-5-1-3-7-18(15)28-19/h1-11H,12-13H2,(H2,23,25)(H,24,26).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-dibenzofuran-2-yloxyacetamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-dibenzofuran-2-yloxyacetamide has a molecular weight of 406.46 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-dibenzofuran-2-yloxyacetamide is sourced from PubChem (CID 46671265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).