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

C19H19NO4S — CID 2574630

IUPAC2-(2-oxo-4-propylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCc1cc(=O)oc2cc(OCC(=O)NCc3cccs3)ccc12
InChIInChI=1S/C19H19NO4S/c1-2-4-13-9-19(22)24-17-10-14(6-7-16(13)17)23-12-18(21)20-11-15-5-3-8-25-15/h3,5-10H,2,4,11-12H2,1H3,(H,20,21)
InChIKeyIPIWAYBGIGHVRE-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.50
Rot. Bonds7

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

2-(2-oxo-4-propylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2574630) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-4-propylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2574630
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name2-(2-oxo-4-propylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
SMILESCCCc1cc(=O)oc2cc(OCC(=O)NCc3cccs3)ccc12
InChIInChI=1S/C19H19NO4S/c1-2-4-13-9-19(22)24-17-10-14(6-7-16(13)17)23-12-18(21)20-11-15-5-3-8-25-15/h3,5-10H,2,4,11-12H2,1H3,(H,20,21)
InChIKeyIPIWAYBGIGHVRE-UHFFFAOYSA-N
XLogP3.50
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.50
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

oxalic acid;2-[(thiophen-2-ylmethylamino)methyl]-3,4-dihydro-2H-chromen-7-ol
CID 44356068
[2-(2,4-Dimethoxyphenyl)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2105289
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] thiophene-2-carboxylate
CID 2364677
[2-Oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2364828
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 2385440
2-(4-methylphenoxy)-N-[(thiophen-2-yl)methyl]acetamide
CID 2092599
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2105197
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 2424822
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
CID 2433953
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 2481996
2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
CID 2516868
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 5971554

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide (CID 2574630) is 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide is CCCc1cc(=O)oc2cc(OCC(=O)NCc3cccs3)ccc12.
What is the InChIKey of 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is IPIWAYBGIGHVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-2-4-13-9-19(22)24-17-10-14(6-7-16(13)17)23-12-18(21)20-11-15-5-3-8-25-15/h3,5-10H,2,4,11-12H2,1H3,(H,20,21).
What are the key properties of 2-(2-oxo-4-propylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide?
2-(2-oxo-4-propylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 357.43 g/mol, XLogP of 3.50, 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-propylchromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2574630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).