2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide

C19H16N4O5S — CID 20867873

IUPAC2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESCc1ccc2oc(=O)c3cnn(CC(=O)Nc4ccc(S(N)(=O)=O)cc4)c3c2c1
InChIInChI=1S/C19H16N4O5S/c1-11-2-7-16-14(8-11)18-15(19(25)28-16)9-21-23(18)10-17(24)22-12-3-5-13(6-4-12)29(20,26)27/h2-9H,10H2,1H3,(H,22,24)(H2,20,26,27)
InChIKeyICZGXQMEFACLIU-UHFFFAOYSA-N
MW412.43 g/mol
LogP1.74
Rot. Bonds4

About 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide

2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 20867873) has the molecular formula C19H16N4O5S and a molecular weight of 412.43 g/mol. Its IUPAC name is 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide
PubChem CID20867873
Molecular FormulaC19H16N4O5S
Molecular Weight412.43 g/mol
Exact Mass412.08
IUPAC Name2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESCc1ccc2oc(=O)c3cnn(CC(=O)Nc4ccc(S(N)(=O)=O)cc4)c3c2c1
InChIInChI=1S/C19H16N4O5S/c1-11-2-7-16-14(8-11)18-15(19(25)28-16)9-21-23(18)10-17(24)22-12-3-5-13(6-4-12)29(20,26)27/h2-9H,10H2,1H3,(H,22,24)(H2,20,26,27)
InChIKeyICZGXQMEFACLIU-UHFFFAOYSA-N
XLogP1.74
TPSA137.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20867736
2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 20867867
N-(5-chloro-2,4-dimethoxyphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20867752
N-(4-methyl-2-pyridinyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20855542
N-[2-[benzyl(methyl)amino]ethyl]-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20867860
N-(3,4-dimethoxyphenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20855479
N-(3-chlorophenyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 6622016
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20867825
N-ethyl-N-(2-ethylphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20867891
N-(4-methoxyphenyl)-N-methyl-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20867798
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2106745
ethane;2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-propylacetamide
CID 91515379

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (CID 20867873) is 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide is Cc1ccc2oc(=O)c3cnn(CC(=O)Nc4ccc(S(N)(=O)=O)cc4)c3c2c1.
What is the InChIKey of 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is ICZGXQMEFACLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5S/c1-11-2-7-16-14(8-11)18-15(19(25)28-16)9-21-23(18)10-17(24)22-12-3-5-13(6-4-12)29(20,26)27/h2-9H,10H2,1H3,(H,22,24)(H2,20,26,27).
What are the key properties of 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide?
2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 412.43 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 20867873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).