2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide

C22H22N2O6S — CID 4870882

IUPAC2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)COc2ccc3c4c(c(=O)oc3c2)CCCC4)cc1
InChIInChI=1S/C22H22N2O6S/c23-31(27,28)16-8-5-14(6-9-16)12-24-21(25)13-29-15-7-10-18-17-3-1-2-4-19(17)22(26)30-20(18)11-15/h5-11H,1-4,12-13H2,(H,24,25)(H2,23,27,28)
InChIKeyKDIQNAFMXDQUKM-UHFFFAOYSA-N
MW442.49 g/mol
LogP2.01
Rot. Bonds6

About 2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide

2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 4870882) has the molecular formula C22H22N2O6S and a molecular weight of 442.49 g/mol. Its IUPAC name is 2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
PubChem CID4870882
Molecular FormulaC22H22N2O6S
Molecular Weight442.49 g/mol
Exact Mass442.12
IUPAC Name2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)COc2ccc3c4c(c(=O)oc3c2)CCCC4)cc1
InChIInChI=1S/C22H22N2O6S/c23-31(27,28)16-8-5-14(6-9-16)12-24-21(25)13-29-15-7-10-18-17-3-1-2-4-19(17)22(26)30-20(18)11-15/h5-11H,1-4,12-13H2,(H,24,25)(H2,23,27,28)
InChIKeyKDIQNAFMXDQUKM-UHFFFAOYSA-N
XLogP2.01
TPSA128.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The IUPAC name of 2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 4870882) is 2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide is NS(=O)(=O)c1ccc(CNC(=O)COc2ccc3c4c(c(=O)oc3c2)CCCC4)cc1.
What is the InChIKey of 2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide?
The InChIKey is KDIQNAFMXDQUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6S/c23-31(27,28)16-8-5-14(6-9-16)12-24-21(25)13-29-15-7-10-18-17-3-1-2-4-19(17)22(26)30-20(18)11-15/h5-11H,1-4,12-13H2,(H,24,25)(H2,23,27,28).
What are the key properties of 2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide?
2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 442.49 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 4870882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).