2-(2-oxochromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)acetamide

C22H19NO4S2 — CID 33122488

IUPAC2-(2-oxochromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)N(CCc1cccs1)Cc1cccs1
InChIInChI=1S/C22H19NO4S2/c24-21(15-26-17-7-5-16-6-8-22(25)27-20(16)13-17)23(14-19-4-2-12-29-19)10-9-18-3-1-11-28-18/h1-8,11-13H,9-10,14-15H2
InChIKeyHBMHVKNTNJOJGL-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.57
Rot. Bonds8

About 2-(2-oxochromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)acetamide

2-(2-oxochromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 33122488) has the molecular formula C22H19NO4S2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-(2-oxochromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxochromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID33122488
Molecular FormulaC22H19NO4S2
Molecular Weight425.53 g/mol
Exact Mass425.08
IUPAC Name2-(2-oxochromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)N(CCc1cccs1)Cc1cccs1
InChIInChI=1S/C22H19NO4S2/c24-21(15-26-17-7-5-16-6-8-22(25)27-20(16)13-17)23(14-19-4-2-12-29-19)10-9-18-3-1-11-28-18/h1-8,11-13H,9-10,14-15H2
InChIKeyHBMHVKNTNJOJGL-UHFFFAOYSA-N
XLogP4.57
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-2-(2-oxochromen-7-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
CID 26355022
7-[2-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-oxoethoxy]chromen-2-one
CID 8536228
2-(4-nitrophenoxy)-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 9012034
4-[[ethyl-[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511803
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202
N-(furan-2-ylmethyl)-2-(3-methylphenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 90495647
2-(1,3-benzodioxol-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 67516345
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
N-ethyl-2-(4-fluorophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 67512148
2-(3,4-dimethylphenoxy)-N-methyl-N-(thiophen-2-ylmethyl)acetamide
CID 78760305
2-(4-methoxyphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78801568
N-ethyl-N-naphthalen-1-yl-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705109

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-oxochromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)acetamide (CID 33122488) is 2-(2-oxochromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-oxochromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-oxochromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)acetamide is O=C(COc1ccc2ccc(=O)oc2c1)N(CCc1cccs1)Cc1cccs1.
What is the InChIKey of 2-(2-oxochromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is HBMHVKNTNJOJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4S2/c24-21(15-26-17-7-5-16-6-8-22(25)27-20(16)13-17)23(14-19-4-2-12-29-19)10-9-18-3-1-11-28-18/h1-8,11-13H,9-10,14-15H2.
What are the key properties of 2-(2-oxochromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)acetamide?
2-(2-oxochromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 425.53 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxochromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 33122488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).