N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-oxochromene-3-carboxamide

C18H16N2O5S — CID 9107286

IUPACN-[4-methyl-3-(methylsulfamoyl)phenyl]-2-oxochromene-3-carboxamide
SMILESCNS(=O)(=O)c1cc(NC(=O)c2cc3ccccc3oc2=O)ccc1C
InChIInChI=1S/C18H16N2O5S/c1-11-7-8-13(10-16(11)26(23,24)19-2)20-17(21)14-9-12-5-3-4-6-15(12)25-18(14)22/h3-10,19H,1-2H3,(H,20,21)
InChIKeyCBRHHVDGUDVNGT-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.26
Rot. Bonds4

About N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-oxochromene-3-carboxamide

N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-oxochromene-3-carboxamide (PubChem CID 9107286) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(methylsulfamoyl)phenyl]-2-oxochromene-3-carboxamide
PubChem CID9107286
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC NameN-[4-methyl-3-(methylsulfamoyl)phenyl]-2-oxochromene-3-carboxamide
SMILESCNS(=O)(=O)c1cc(NC(=O)c2cc3ccccc3oc2=O)ccc1C
InChIInChI=1S/C18H16N2O5S/c1-11-7-8-13(10-16(11)26(23,24)19-2)20-17(21)14-9-12-5-3-4-6-15(12)25-18(14)22/h3-10,19H,1-2H3,(H,20,21)
InChIKeyCBRHHVDGUDVNGT-UHFFFAOYSA-N
XLogP2.26
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-oxochromene-3-carboxamide
CID 3903461
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2-oxochromene-3-carboxamide
CID 4874951
2,5-dimethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]benzamide
CID 9107157
N-[4-methyl-3-(methylsulfamoyl)phenyl]quinoline-2-carboxamide
CID 9107051
N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide
CID 110757271
2-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-3-carboxamide
CID 106852863
2-oxo-N-(4-propan-2-ylphenyl)chromene-3-carboxamide
CID 724176
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 1034649
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-oxochromene-3-carboxamide
CID 110745312
2-oxo-N-[4-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 10065394
N-[4-(hydroxymethyl)phenyl]-2-oxochromene-3-carboxamide
CID 23661443
5-bromo-N-[4-methyl-3-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 60646244

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-oxochromene-3-carboxamide (CID 9107286) is N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-oxochromene-3-carboxamide is CNS(=O)(=O)c1cc(NC(=O)c2cc3ccccc3oc2=O)ccc1C.
What is the InChIKey of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-oxochromene-3-carboxamide?
The InChIKey is CBRHHVDGUDVNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-11-7-8-13(10-16(11)26(23,24)19-2)20-17(21)14-9-12-5-3-4-6-15(12)25-18(14)22/h3-10,19H,1-2H3,(H,20,21).
What are the key properties of N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-oxochromene-3-carboxamide?
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-oxochromene-3-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 9107286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).