N-(2-methoxydibenzofuran-3-yl)-2-phenylsulfanylacetamide

C21H17NO3S — CID 2944641

IUPACN-(2-methoxydibenzofuran-3-yl)-2-phenylsulfanylacetamide
SMILESCOc1cc2c(cc1NC(=O)CSc1ccccc1)oc1ccccc12
InChIInChI=1S/C21H17NO3S/c1-24-20-11-16-15-9-5-6-10-18(15)25-19(16)12-17(20)22-21(23)13-26-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,22,23)
InChIKeyNGCUPKQMNGTAQR-UHFFFAOYSA-N
MW363.44 g/mol
LogP5.33
Rot. Bonds5

About N-(2-methoxydibenzofuran-3-yl)-2-phenylsulfanylacetamide

N-(2-methoxydibenzofuran-3-yl)-2-phenylsulfanylacetamide (PubChem CID 2944641) has the molecular formula C21H17NO3S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-2-phenylsulfanylacetamide
PubChem CID2944641
Molecular FormulaC21H17NO3S
Molecular Weight363.44 g/mol
Exact Mass363.09
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-2-phenylsulfanylacetamide
SMILESCOc1cc2c(cc1NC(=O)CSc1ccccc1)oc1ccccc12
InChIInChI=1S/C21H17NO3S/c1-24-20-11-16-15-9-5-6-10-18(15)25-19(16)12-17(20)22-21(23)13-26-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,22,23)
InChIKeyNGCUPKQMNGTAQR-UHFFFAOYSA-N
XLogP5.33
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.44
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-phenylsulfanylacetamide (CID 2944641) is N-(2-methoxydibenzofuran-3-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-2-phenylsulfanylacetamide is COc1cc2c(cc1NC(=O)CSc1ccccc1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-2-phenylsulfanylacetamide?
The InChIKey is NGCUPKQMNGTAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3S/c1-24-20-11-16-15-9-5-6-10-18(15)25-19(16)12-17(20)22-21(23)13-26-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,22,23).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-2-phenylsulfanylacetamide?
N-(2-methoxydibenzofuran-3-yl)-2-phenylsulfanylacetamide has a molecular weight of 363.44 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 2944641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).