2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide

C17H14ClNO4S — CID 2516868

IUPAC2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1c(Cl)c(=O)oc2cc(OCC(=O)NCc3cccs3)ccc12
InChIInChI=1S/C17H14ClNO4S/c1-10-13-5-4-11(7-14(13)23-17(21)16(10)18)22-9-15(20)19-8-12-3-2-6-24-12/h2-7H,8-9H2,1H3,(H,19,20)
InChIKeyQCGWDVQYPFBZQV-UHFFFAOYSA-N
MW363.82 g/mol
LogP3.51
Rot. Bonds5

About 2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide

2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2516868) has the molecular formula C17H14ClNO4S and a molecular weight of 363.82 g/mol. Its IUPAC name is 2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2516868
Molecular FormulaC17H14ClNO4S
Molecular Weight363.82 g/mol
Exact Mass363.03
IUPAC Name2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1c(Cl)c(=O)oc2cc(OCC(=O)NCc3cccs3)ccc12
InChIInChI=1S/C17H14ClNO4S/c1-10-13-5-4-11(7-14(13)23-17(21)16(10)18)22-9-15(20)19-8-12-3-2-6-24-12/h2-7H,8-9H2,1H3,(H,19,20)
InChIKeyQCGWDVQYPFBZQV-UHFFFAOYSA-N
XLogP3.51
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide (CID 2516868) is 2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide is Cc1c(Cl)c(=O)oc2cc(OCC(=O)NCc3cccs3)ccc12.
What is the InChIKey of 2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is QCGWDVQYPFBZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO4S/c1-10-13-5-4-11(7-14(13)23-17(21)16(10)18)22-9-15(20)19-8-12-3-2-6-24-12/h2-7H,8-9H2,1H3,(H,19,20).
What are the key properties of 2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 363.82 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2516868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).