2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide

C22H18N2O6S2 — CID 158590550

IUPAC2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(S(=O)(=O)Cc4nccs4)cc3)ccc12
InChIInChI=1S/C22H18N2O6S2/c1-14-10-22(26)30-19-11-16(4-7-18(14)19)29-12-20(25)24-15-2-5-17(6-3-15)32(27,28)13-21-23-8-9-31-21/h2-11H,12-13H2,1H3,(H,24,25)
InChIKeyHUJUWFAYJMMKNF-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.55
Rot. Bonds7

About 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide

2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide (PubChem CID 158590550) has the molecular formula C22H18N2O6S2 and a molecular weight of 470.53 g/mol. Its IUPAC name is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide
PubChem CID158590550
Molecular FormulaC22H18N2O6S2
Molecular Weight470.53 g/mol
Exact Mass470.06
IUPAC Name2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(S(=O)(=O)Cc4nccs4)cc3)ccc12
InChIInChI=1S/C22H18N2O6S2/c1-14-10-22(26)30-19-11-16(4-7-18(14)19)29-12-20(25)24-15-2-5-17(6-3-15)32(27,28)13-21-23-8-9-31-21/h2-11H,12-13H2,1H3,(H,24,25)
InChIKeyHUJUWFAYJMMKNF-UHFFFAOYSA-N
XLogP3.55
TPSA115.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(4-iodophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 1346536
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2098370
N-(4-fluorophenyl)-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetamide
CID 7967934
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 19191797
N-[(4-methoxyphenyl)carbamoyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 12585323
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 3930215
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412099
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844259
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2367621
N-(7-methoxyquinolin-3-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 71826068
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide?
The IUPAC name of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide (CID 158590550) is 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide is Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(S(=O)(=O)Cc4nccs4)cc3)ccc12.
What is the InChIKey of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide?
The InChIKey is HUJUWFAYJMMKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O6S2/c1-14-10-22(26)30-19-11-16(4-7-18(14)19)29-12-20(25)24-15-2-5-17(6-3-15)32(27,28)13-21-23-8-9-31-21/h2-11H,12-13H2,1H3,(H,24,25).
What are the key properties of 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide?
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide has a molecular weight of 470.53 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxochromen-7-yl)oxy-N-[4-(1,3-thiazol-2-ylmethylsulfonyl)phenyl]acetamide is sourced from PubChem (CID 158590550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).