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

C22H17NO4S — CID 2433953

IUPAC2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NCc1cccs1
InChIInChI=1S/C22H17NO4S/c24-21(23-13-17-7-4-10-28-17)14-26-16-8-9-18-19(15-5-2-1-3-6-15)12-22(25)27-20(18)11-16/h1-12H,13-14H2,(H,23,24)
InChIKeyISUIRPLKQTTWBY-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.22
Rot. Bonds6

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

2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2433953) has the molecular formula C22H17NO4S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2433953
Molecular FormulaC22H17NO4S
Molecular Weight391.45 g/mol
Exact Mass391.09
IUPAC Name2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NCc1cccs1
InChIInChI=1S/C22H17NO4S/c24-21(23-13-17-7-4-10-28-17)14-26-16-8-9-18-19(15-5-2-1-3-6-15)12-22(25)27-20(18)11-16/h1-12H,13-14H2,(H,23,24)
InChIKeyISUIRPLKQTTWBY-UHFFFAOYSA-N
XLogP4.22
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide (CID 2433953) is 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide is O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NCc1cccs1.
What is the InChIKey of 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ISUIRPLKQTTWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4S/c24-21(23-13-17-7-4-10-28-17)14-26-16-8-9-18-19(15-5-2-1-3-6-15)12-22(25)27-20(18)11-16/h1-12H,13-14H2,(H,23,24).
What are the key properties of 2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 391.45 g/mol, XLogP of 4.22, 6 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-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2433953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).