2-(7-methyl-2-oxochromen-4-yl)-N-(thiophen-2-ylmethyl)acetamide

C17H15NO3S — CID 41180237

IUPAC2-(7-methyl-2-oxochromen-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc2c(CC(=O)NCc3cccs3)cc(=O)oc2c1
InChIInChI=1S/C17H15NO3S/c1-11-4-5-14-12(9-17(20)21-15(14)7-11)8-16(19)18-10-13-3-2-6-22-13/h2-7,9H,8,10H2,1H3,(H,18,19)
InChIKeyKPGMWGIQCNZUFL-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.02
Rot. Bonds4

About 2-(7-methyl-2-oxochromen-4-yl)-N-(thiophen-2-ylmethyl)acetamide

2-(7-methyl-2-oxochromen-4-yl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 41180237) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(7-methyl-2-oxochromen-4-yl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(7-methyl-2-oxochromen-4-yl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID41180237
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name2-(7-methyl-2-oxochromen-4-yl)-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc2c(CC(=O)NCc3cccs3)cc(=O)oc2c1
InChIInChI=1S/C17H15NO3S/c1-11-4-5-14-12(9-17(20)21-15(14)7-11)8-16(19)18-10-13-3-2-6-22-13/h2-7,9H,8,10H2,1H3,(H,18,19)
InChIKeyKPGMWGIQCNZUFL-UHFFFAOYSA-N
XLogP3.02
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-2-oxochromen-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(7-methyl-2-oxochromen-4-yl)-N-(thiophen-2-ylmethyl)acetamide (CID 41180237) is 2-(7-methyl-2-oxochromen-4-yl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(7-methyl-2-oxochromen-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(7-methyl-2-oxochromen-4-yl)-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc2c(CC(=O)NCc3cccs3)cc(=O)oc2c1.
What is the InChIKey of 2-(7-methyl-2-oxochromen-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is KPGMWGIQCNZUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-11-4-5-14-12(9-17(20)21-15(14)7-11)8-16(19)18-10-13-3-2-6-22-13/h2-7,9H,8,10H2,1H3,(H,18,19).
What are the key properties of 2-(7-methyl-2-oxochromen-4-yl)-N-(thiophen-2-ylmethyl)acetamide?
2-(7-methyl-2-oxochromen-4-yl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 313.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-2-oxochromen-4-yl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 41180237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).