2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide

C26H25NO4S — CID 24581990

IUPAC2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
SMILESCc1oc2cc(OCC(=O)NC(c3cccs3)C(C)C)ccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C26H25NO4S/c1-16(2)25(22-10-7-13-32-22)27-23(28)15-30-19-11-12-20-21(14-19)31-17(3)24(26(20)29)18-8-5-4-6-9-18/h4-14,16,25H,15H2,1-3H3,(H,27,28)
InChIKeyYUSAEZGNQGOTJY-UHFFFAOYSA-N
MW447.56 g/mol
LogP5.72
Rot. Bonds7

About 2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide

2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide (PubChem CID 24581990) has the molecular formula C26H25NO4S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
PubChem CID24581990
Molecular FormulaC26H25NO4S
Molecular Weight447.56 g/mol
Exact Mass447.15
IUPAC Name2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
SMILESCc1oc2cc(OCC(=O)NC(c3cccs3)C(C)C)ccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C26H25NO4S/c1-16(2)25(22-10-7-13-32-22)27-23(28)15-30-19-11-12-20-21(14-19)31-17(3)24(26(20)29)18-8-5-4-6-9-18/h4-14,16,25H,15H2,1-3H3,(H,27,28)
InChIKeyYUSAEZGNQGOTJY-UHFFFAOYSA-N
XLogP5.72
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.56
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-phenylacetamide
CID 7714067
N-(2,6-dimethylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 7714060
N-cycloheptyl-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetamide
CID 9317092
methyl 4-[[2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxyacetyl]amino]benzoate
CID 26216445
2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-propoxyphenyl)acetamide
CID 24581989
2-(3-methylphenoxy)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 9051743
(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid
CID 5428805
2-[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetamide
CID 1309838
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 27878401
2-[3-(2-chloro-6-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxy-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2108311
2-(2-methoxyphenoxy)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 46828508
2-[3-(4-fluorophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 6955021

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide (CID 24581990) is 2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide is Cc1oc2cc(OCC(=O)NC(c3cccs3)C(C)C)ccc2c(=O)c1-c1ccccc1.
What is the InChIKey of 2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
The InChIKey is YUSAEZGNQGOTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4S/c1-16(2)25(22-10-7-13-32-22)27-23(28)15-30-19-11-12-20-21(14-19)31-17(3)24(26(20)29)18-8-5-4-6-9-18/h4-14,16,25H,15H2,1-3H3,(H,27,28).
What are the key properties of 2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide?
2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide has a molecular weight of 447.56 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxy-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 24581990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).