2-[[3-[[4-methyl-2-oxo-7-(1,3-thiazol-2-yloxy)chromen-3-yl]methyl]phenyl]sulfamoyl]acetamide

C22H19N3O6S2 — CID 59139431

IUPAC2-[[3-[[4-methyl-2-oxo-7-(1,3-thiazol-2-yloxy)chromen-3-yl]methyl]phenyl]sulfamoyl]acetamide
SMILESCc1c(Cc2cccc(NS(=O)(=O)CC(N)=O)c2)c(=O)oc2cc(Oc3nccs3)ccc12
InChIInChI=1S/C22H19N3O6S2/c1-13-17-6-5-16(30-22-24-7-8-32-22)11-19(17)31-21(27)18(13)10-14-3-2-4-15(9-14)25-33(28,29)12-20(23)26/h2-9,11,25H,10,12H2,1H3,(H2,23,26)
InChIKeyWBPOOLNGJIFYRH-UHFFFAOYSA-N
MW485.54 g/mol
LogP3.17
Rot. Bonds8

About 2-[[3-[[4-methyl-2-oxo-7-(1,3-thiazol-2-yloxy)chromen-3-yl]methyl]phenyl]sulfamoyl]acetamide

2-[[3-[[4-methyl-2-oxo-7-(1,3-thiazol-2-yloxy)chromen-3-yl]methyl]phenyl]sulfamoyl]acetamide (PubChem CID 59139431) has the molecular formula C22H19N3O6S2 and a molecular weight of 485.54 g/mol. Its IUPAC name is 2-[[3-[[4-methyl-2-oxo-7-(1,3-thiazol-2-yloxy)chromen-3-yl]methyl]phenyl]sulfamoyl]acetamide.

Molecular Properties

Compound Name2-[[3-[[4-methyl-2-oxo-7-(1,3-thiazol-2-yloxy)chromen-3-yl]methyl]phenyl]sulfamoyl]acetamide
PubChem CID59139431
Molecular FormulaC22H19N3O6S2
Molecular Weight485.54 g/mol
Exact Mass485.07
IUPAC Name2-[[3-[[4-methyl-2-oxo-7-(1,3-thiazol-2-yloxy)chromen-3-yl]methyl]phenyl]sulfamoyl]acetamide
SMILESCc1c(Cc2cccc(NS(=O)(=O)CC(N)=O)c2)c(=O)oc2cc(Oc3nccs3)ccc12
InChIInChI=1S/C22H19N3O6S2/c1-13-17-6-5-16(30-22-24-7-8-32-22)11-19(17)31-21(27)18(13)10-14-3-2-4-15(9-14)25-33(28,29)12-20(23)26/h2-9,11,25H,10,12H2,1H3,(H2,23,26)
InChIKeyWBPOOLNGJIFYRH-UHFFFAOYSA-N
XLogP3.17
TPSA141.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethyl-3-[[3-(methylsulfamoylamino)phenyl]methyl]-7-(1,3-thiazol-2-yloxy)chromen-2-one
CID 24753974
[3-[[3-[[2-(dimethylamino)-2-oxoethyl]sulfonylamino]phenyl]methyl]-4-methyl-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 59139111
2-[3-[[2-chloro-3-(sulfamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole
CID 24753606
[4-methyl-3-[[3-(methylsulfamoylamino)phenyl]methyl]-2-oxochromen-7-yl] N-(2-amino-2-oxoethyl)-N-methylcarbamate
CID 59139410
ethane;2-[3-[[2-fluoro-3-(sulfinamoylamino)phenyl]methyl]-4-methyl-2-oxochromen-7-yl]oxy-1,3-thiazole
CID 143523054
4-methyl-3-[[3-(oxetan-3-ylsulfamoylamino)phenyl]methyl]-7-pyridin-2-yloxychromen-2-one
CID 172566150
5-[4-methyl-2-oxo-3-[[3-(sulfamoylamino)phenyl]methyl]chromen-7-yl]-1,3-thiazole
CID 59139411
7-(2,3-dihydro-1,3-thiazol-2-yloxy)-4-methyl-3-[[3-(methylsulfamoylamino)phenyl]methyl]chromen-2-one
CID 163624273
CID 161399438
CID 161399438
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 16604979
[6-isocyano-4-methyl-3-[[3-(methylsulfamoylamino)phenyl]methyl]-2-oxochromen-7-yl] N,N-dimethylcarbamate
CID 59139306
4-methyl-3-[[3-(methylsulfamoylamino)phenyl]methyl]-2-oxochromene-6-carbonitrile
CID 123261355

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[4-methyl-2-oxo-7-(1,3-thiazol-2-yloxy)chromen-3-yl]methyl]phenyl]sulfamoyl]acetamide?
The IUPAC name of 2-[[3-[[4-methyl-2-oxo-7-(1,3-thiazol-2-yloxy)chromen-3-yl]methyl]phenyl]sulfamoyl]acetamide (CID 59139431) is 2-[[3-[[4-methyl-2-oxo-7-(1,3-thiazol-2-yloxy)chromen-3-yl]methyl]phenyl]sulfamoyl]acetamide.
What is the SMILES notation for 2-[[3-[[4-methyl-2-oxo-7-(1,3-thiazol-2-yloxy)chromen-3-yl]methyl]phenyl]sulfamoyl]acetamide?
The canonical SMILES for 2-[[3-[[4-methyl-2-oxo-7-(1,3-thiazol-2-yloxy)chromen-3-yl]methyl]phenyl]sulfamoyl]acetamide is Cc1c(Cc2cccc(NS(=O)(=O)CC(N)=O)c2)c(=O)oc2cc(Oc3nccs3)ccc12.
What is the InChIKey of 2-[[3-[[4-methyl-2-oxo-7-(1,3-thiazol-2-yloxy)chromen-3-yl]methyl]phenyl]sulfamoyl]acetamide?
The InChIKey is WBPOOLNGJIFYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O6S2/c1-13-17-6-5-16(30-22-24-7-8-32-22)11-19(17)31-21(27)18(13)10-14-3-2-4-15(9-14)25-33(28,29)12-20(23)26/h2-9,11,25H,10,12H2,1H3,(H2,23,26).
What are the key properties of 2-[[3-[[4-methyl-2-oxo-7-(1,3-thiazol-2-yloxy)chromen-3-yl]methyl]phenyl]sulfamoyl]acetamide?
2-[[3-[[4-methyl-2-oxo-7-(1,3-thiazol-2-yloxy)chromen-3-yl]methyl]phenyl]sulfamoyl]acetamide has a molecular weight of 485.54 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[4-methyl-2-oxo-7-(1,3-thiazol-2-yloxy)chromen-3-yl]methyl]phenyl]sulfamoyl]acetamide is sourced from PubChem (CID 59139431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).