N-(2-methoxydibenzofuran-3-yl)-2-(4-methylsulfanylphenoxy)acetamide

C22H19NO4S — CID 7893725

IUPACN-(2-methoxydibenzofuran-3-yl)-2-(4-methylsulfanylphenoxy)acetamide
SMILESCOc1cc2c(cc1NC(=O)COc1ccc(SC)cc1)oc1ccccc12
InChIInChI=1S/C22H19NO4S/c1-25-21-11-17-16-5-3-4-6-19(16)27-20(17)12-18(21)23-22(24)13-26-14-7-9-15(28-2)10-8-14/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyUCQIKSRGGGRASO-UHFFFAOYSA-N
MW393.46 g/mol
LogP5.33
Rot. Bonds6

About N-(2-methoxydibenzofuran-3-yl)-2-(4-methylsulfanylphenoxy)acetamide

N-(2-methoxydibenzofuran-3-yl)-2-(4-methylsulfanylphenoxy)acetamide (PubChem CID 7893725) has the molecular formula C22H19NO4S and a molecular weight of 393.46 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-2-(4-methylsulfanylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-2-(4-methylsulfanylphenoxy)acetamide
PubChem CID7893725
Molecular FormulaC22H19NO4S
Molecular Weight393.46 g/mol
Exact Mass393.10
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-2-(4-methylsulfanylphenoxy)acetamide
SMILESCOc1cc2c(cc1NC(=O)COc1ccc(SC)cc1)oc1ccccc12
InChIInChI=1S/C22H19NO4S/c1-25-21-11-17-16-5-3-4-6-19(16)27-20(17)12-18(21)23-22(24)13-26-14-7-9-15(28-2)10-8-14/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyUCQIKSRGGGRASO-UHFFFAOYSA-N
XLogP5.33
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.46
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethoxy]phenyl]acetate
CID 7695279
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate
CID 16525047
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 4022781
3-[2-[2-(4-bromophenoxy)acetyl]hydrazinyl]-N-(2-methoxydibenzofuran-3-yl)but-3-enamide
CID 4052541
2-(2,5-dimethylphenoxy)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2911367
2-(2,4-dichlorophenoxy)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2788847
N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 55488412
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510908
2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2401504
N-(2-methoxydibenzofuran-3-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 7705710
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 2092479

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-(4-methylsulfanylphenoxy)acetamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-(4-methylsulfanylphenoxy)acetamide (CID 7893725) is N-(2-methoxydibenzofuran-3-yl)-2-(4-methylsulfanylphenoxy)acetamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-2-(4-methylsulfanylphenoxy)acetamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-2-(4-methylsulfanylphenoxy)acetamide is COc1cc2c(cc1NC(=O)COc1ccc(SC)cc1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-2-(4-methylsulfanylphenoxy)acetamide?
The InChIKey is UCQIKSRGGGRASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4S/c1-25-21-11-17-16-5-3-4-6-19(16)27-20(17)12-18(21)23-22(24)13-26-14-7-9-15(28-2)10-8-14/h3-12H,13H2,1-2H3,(H,23,24).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-2-(4-methylsulfanylphenoxy)acetamide?
N-(2-methoxydibenzofuran-3-yl)-2-(4-methylsulfanylphenoxy)acetamide has a molecular weight of 393.46 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-2-(4-methylsulfanylphenoxy)acetamide is sourced from PubChem (CID 7893725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).