N-(2-methoxydibenzofuran-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

C22H16N2O3S2 — CID 26643826

IUPACN-(2-methoxydibenzofuran-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCOc1cc2c(cc1NC(=O)Cc1csc(-c3ccsc3)n1)oc1ccccc12
InChIInChI=1S/C22H16N2O3S2/c1-26-20-9-16-15-4-2-3-5-18(15)27-19(16)10-17(20)24-21(25)8-14-12-29-22(23-14)13-6-7-28-11-13/h2-7,9-12H,8H2,1H3,(H,24,25)
InChIKeyZVLWNUVSRMWNNC-UHFFFAOYSA-N
MW420.52 g/mol
LogP5.96
Rot. Bonds5

About N-(2-methoxydibenzofuran-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

N-(2-methoxydibenzofuran-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 26643826) has the molecular formula C22H16N2O3S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID26643826
Molecular FormulaC22H16N2O3S2
Molecular Weight420.52 g/mol
Exact Mass420.06
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESCOc1cc2c(cc1NC(=O)Cc1csc(-c3ccsc3)n1)oc1ccccc12
InChIInChI=1S/C22H16N2O3S2/c1-26-20-9-16-15-4-2-3-5-18(15)27-19(16)10-17(20)24-21(25)8-14-12-29-22(23-14)13-6-7-28-11-13/h2-7,9-12H,8H2,1H3,(H,24,25)
InChIKeyZVLWNUVSRMWNNC-UHFFFAOYSA-N
XLogP5.96
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.52
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9404781
N-(2-propan-2-yloxyphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 38999275
3,4,5-trimethoxy-N'-[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]benzohydrazide
CID 46651422
2-(2-thiophen-3-yl-1,3-thiazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 35204280
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2553139
methyl 3-methyl-4-[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 36934193
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51217663
2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 5144773
(2R)-2-[2-(hydroxymethyl)anilino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2421462
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 46692032

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 26643826) is N-(2-methoxydibenzofuran-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is COc1cc2c(cc1NC(=O)Cc1csc(-c3ccsc3)n1)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is ZVLWNUVSRMWNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3S2/c1-26-20-9-16-15-4-2-3-5-18(15)27-19(16)10-17(20)24-21(25)8-14-12-29-22(23-14)13-6-7-28-11-13/h2-7,9-12H,8H2,1H3,(H,24,25).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-(2-methoxydibenzofuran-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 420.52 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 26643826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).