N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-oxochromene-3-carboxamide

C20H20N2O4S — CID 4124262

IUPACN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-oxochromene-3-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H20N2O4S/c23-19(15-12-14-4-1-2-5-17(14)26-20(15)24)21-13-16(18-6-3-11-27-18)22-7-9-25-10-8-22/h1-6,11-12,16H,7-10,13H2,(H,21,23)
InChIKeyMIMHRNSTEVZXAK-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.66
Rot. Bonds5

About N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-oxochromene-3-carboxamide

N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-oxochromene-3-carboxamide (PubChem CID 4124262) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-oxochromene-3-carboxamide
PubChem CID4124262
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC NameN-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-oxochromene-3-carboxamide
SMILESO=C(NCC(c1cccs1)N1CCOCC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H20N2O4S/c23-19(15-12-14-4-1-2-5-17(14)26-20(15)24)21-13-16(18-6-3-11-27-18)22-7-9-25-10-8-22/h1-6,11-12,16H,7-10,13H2,(H,21,23)
InChIKeyMIMHRNSTEVZXAK-UHFFFAOYSA-N
XLogP2.66
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N,N-bis(thiophen-2-ylmethyl)chromene-3-carboxamide
CID 1433005
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 2105197
2-Methoxy-N-[1-(morpholin-4-YL)-1-(thiophen-2-YL)propan-2-YL]benzamide
CID 3238588
2-methoxy-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]benzamide
CID 3244176
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 4964222
3-(4-tert-butylphenoxy)-N-[2-morpholino-2-(2-thienyl)ethyl]propionamide
CID 24980930
N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 71449627
N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 71462066
N-[4-[(4aR,10bR)-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-4-yl]butyl]thiophene-2-carboxamide
CID 164615190
2-(2-cyanophenoxy)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)acetamide
CID 18150831
US9776991, Example 49
CID 118112549
2-oxo-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)chromene-3-carboxamide
CID 3170088

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-oxochromene-3-carboxamide (CID 4124262) is N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-oxochromene-3-carboxamide is O=C(NCC(c1cccs1)N1CCOCC1)c1cc2ccccc2oc1=O.
What is the InChIKey of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-oxochromene-3-carboxamide?
The InChIKey is MIMHRNSTEVZXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c23-19(15-12-14-4-1-2-5-17(14)26-20(15)24)21-13-16(18-6-3-11-27-18)22-7-9-25-10-8-22/h1-6,11-12,16H,7-10,13H2,(H,21,23).
What are the key properties of N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-oxochromene-3-carboxamide?
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-oxochromene-3-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 4124262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).