2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide

C15H15N3O5S — CID 8551774

IUPAC2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)Nc3ncc([N+](=O)[O-])s3)c2O1
InChIInChI=1S/C15H15N3O5S/c1-15(2)6-9-4-3-5-10(13(9)23-15)22-8-11(19)17-14-16-7-12(24-14)18(20)21/h3-5,7H,6,8H2,1-2H3,(H,16,17,19)
InChIKeyYOVPREXJAAPKMU-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.78
Rot. Bonds5

About 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide (PubChem CID 8551774) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
PubChem CID8551774
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCC1(C)Cc2cccc(OCC(=O)Nc3ncc([N+](=O)[O-])s3)c2O1
InChIInChI=1S/C15H15N3O5S/c1-15(2)6-9-4-3-5-10(13(9)23-15)22-8-11(19)17-14-16-7-12(24-14)18(20)21/h3-5,7H,6,8H2,1-2H3,(H,16,17,19)
InChIKeyYOVPREXJAAPKMU-UHFFFAOYSA-N
XLogP2.78
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-((2,2-dimethyl-2,3-dihydrobenzofuran-7-yl)oxy)-N-(thiazol-2-yl)acetamide
CID 2095287
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2102526
3,4-Dimethoxybenzoic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester
CID 16329946
N-(5-nitro-1,3-thiazol-2-yl)-2-(3-phenylphenoxy)acetamide
CID 127050443
N-(5-nitro-1,3-thiazol-2-yl)-2-(4-phenylphenoxy)acetamide
CID 127050757
(E)-3-(1,3-benzodioxol-5-yl)-N-(5-nitro-1,3-thiazol-2-yl)prop-2-enamide
CID 5350721
2-[2,4-bis(trifluoromethyl)phenoxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 21537906
2-[3-methyl-2-(trifluoromethyl)phenoxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 21537908
N-(5-nitro-1,3-thiazol-2-yl)-2-phenoxyacetamide
CID 4477427
2-(3-chloro-2-methylphenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 21537903
2-(3,5-dimethylphenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 22285688
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-methyl-N-(1,3-thiazol-2-yl)acetamide
CID 45815377

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide (CID 8551774) is 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide is CC1(C)Cc2cccc(OCC(=O)Nc3ncc([N+](=O)[O-])s3)c2O1.
What is the InChIKey of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The InChIKey is YOVPREXJAAPKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-15(2)6-9-4-3-5-10(13(9)23-15)22-8-11(19)17-14-16-7-12(24-14)18(20)21/h3-5,7H,6,8H2,1-2H3,(H,16,17,19).
What are the key properties of 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide has a molecular weight of 349.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(5-nitro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 8551774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).