2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide

C23H19NO4S — CID 8951439

IUPAC2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NCCc1cccs1
InChIInChI=1S/C23H19NO4S/c25-22(24-11-10-18-7-4-12-29-18)15-27-17-8-9-19-20(16-5-2-1-3-6-16)14-23(26)28-21(19)13-17/h1-9,12-14H,10-11,15H2,(H,24,25)
InChIKeyHVOBNHGJNFUJDG-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.26
Rot. Bonds7

About 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide

2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 8951439) has the molecular formula C23H19NO4S and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID8951439
Molecular FormulaC23H19NO4S
Molecular Weight405.48 g/mol
Exact Mass405.10
IUPAC Name2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NCCc1cccs1
InChIInChI=1S/C23H19NO4S/c25-22(24-11-10-18-7-4-12-29-18)15-27-17-8-9-19-20(16-5-2-1-3-6-16)14-23(26)28-21(19)13-17/h1-9,12-14H,10-11,15H2,(H,24,25)
InChIKeyHVOBNHGJNFUJDG-UHFFFAOYSA-N
XLogP4.26
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide
CID 8806134
N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 7633718
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide
CID 7996357
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
CID 7996359
N-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 8636135
4-[[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 3337153
(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid
CID 5428805
N-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 155543658
(2S)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]-3-phenylpropanoic acid
CID 1194304
ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate
CID 7996380
7-(2-methylprop-2-enoxy)-4-phenylchromen-2-one
CID 701624
N-(2-cyanophenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 2496630

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide (CID 8951439) is 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide is O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NCCc1cccs1.
What is the InChIKey of 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is HVOBNHGJNFUJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4S/c25-22(24-11-10-18-7-4-12-29-18)15-27-17-8-9-19-20(16-5-2-1-3-6-16)14-23(26)28-21(19)13-17/h1-9,12-14H,10-11,15H2,(H,24,25).
What are the key properties of 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide?
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 405.48 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 8951439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).