2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-cyanothiophen-2-yl)acetamide

C22H13ClN2O4S — CID 24523378

IUPAC2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-cyanothiophen-2-yl)acetamide
SMILESN#Cc1ccsc1NC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl
InChIInChI=1S/C22H13ClN2O4S/c23-17-8-16-15(13-4-2-1-3-5-13)9-21(27)29-18(16)10-19(17)28-12-20(26)25-22-14(11-24)6-7-30-22/h1-10H,12H2,(H,25,26)
InChIKeyIPWMEQQDGWUXCW-UHFFFAOYSA-N
MW436.88 g/mol
LogP5.06
Rot. Bonds5

About 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-cyanothiophen-2-yl)acetamide

2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-cyanothiophen-2-yl)acetamide (PubChem CID 24523378) has the molecular formula C22H13ClN2O4S and a molecular weight of 436.88 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-cyanothiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-cyanothiophen-2-yl)acetamide
PubChem CID24523378
Molecular FormulaC22H13ClN2O4S
Molecular Weight436.88 g/mol
Exact Mass436.03
IUPAC Name2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-cyanothiophen-2-yl)acetamide
SMILESN#Cc1ccsc1NC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl
InChIInChI=1S/C22H13ClN2O4S/c23-17-8-16-15(13-4-2-1-3-5-13)9-21(27)29-18(16)10-19(17)28-12-20(26)25-22-14(11-24)6-7-30-22/h1-10H,12H2,(H,25,26)
InChIKeyIPWMEQQDGWUXCW-UHFFFAOYSA-N
XLogP5.06
TPSA92.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.88
LogP ≤ 55.06
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-[[2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]thiophene-3-carboxamide
CID 24523373
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(2-chloro-3-pyridinyl)acetamide
CID 24520428
2-(2-chloro-4-phenylphenoxy)-N-(3-cyanothiophen-2-yl)acetamide
CID 18224963
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-hydroxypropyl)acetamide
CID 4911631
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide
CID 4910456
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(4-piperidin-1-ylphenyl)acetamide
CID 2185652
tert-butyl 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetate
CID 988856
N-(2-cyanophenyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 2496630
2-(2-bromo-4-chlorophenoxy)-N-(3-cyanothiophen-2-yl)acetamide
CID 2117847
6-chloro-7-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethoxy]-4-phenylchromen-2-one
CID 43034128
(3R)-1-[2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxyacetyl]piperidine-3-carboxylic acid
CID 41087669
N-(2-cyanophenyl)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4511857

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-cyanothiophen-2-yl)acetamide?
The IUPAC name of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-cyanothiophen-2-yl)acetamide (CID 24523378) is 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-cyanothiophen-2-yl)acetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-cyanothiophen-2-yl)acetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-cyanothiophen-2-yl)acetamide is N#Cc1ccsc1NC(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl.
What is the InChIKey of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-cyanothiophen-2-yl)acetamide?
The InChIKey is IPWMEQQDGWUXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClN2O4S/c23-17-8-16-15(13-4-2-1-3-5-13)9-21(27)29-18(16)10-19(17)28-12-20(26)25-22-14(11-24)6-7-30-22/h1-10H,12H2,(H,25,26).
What are the key properties of 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-cyanothiophen-2-yl)acetamide?
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-cyanothiophen-2-yl)acetamide has a molecular weight of 436.88 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-cyanothiophen-2-yl)acetamide is sourced from PubChem (CID 24523378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).