N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide

C24H18N4O6S — CID 43977553

IUPACN-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)o2)cc1
InChIInChI=1S/C24H18N4O6S/c1-28(2)35(31,32)16-10-7-15(8-11-16)22-26-27-24(34-22)25-21(29)19-13-18-17-6-4-3-5-14(17)9-12-20(18)33-23(19)30/h3-13H,1-2H3,(H,25,27,29)
InChIKeySDFAOBCHBCFGFV-UHFFFAOYSA-N
MW490.50 g/mol
LogP3.50
Rot. Bonds5

About N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide

N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide (PubChem CID 43977553) has the molecular formula C24H18N4O6S and a molecular weight of 490.50 g/mol. Its IUPAC name is N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide
PubChem CID43977553
Molecular FormulaC24H18N4O6S
Molecular Weight490.50 g/mol
Exact Mass490.09
IUPAC NameN-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)o2)cc1
InChIInChI=1S/C24H18N4O6S/c1-28(2)35(31,32)16-10-7-15(8-11-16)22-26-27-24(34-22)25-21(29)19-13-18-17-6-4-3-5-14(17)9-12-20(18)33-23(19)30/h3-13H,1-2H3,(H,25,27,29)
InChIKeySDFAOBCHBCFGFV-UHFFFAOYSA-N
XLogP3.50
TPSA135.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide
CID 43976714
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methoxynaphthalene-2-carboxamide
CID 43977601
3-oxo-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzo[f]chromene-2-carboxamide
CID 43974843
4-cyano-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43977519
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 16917380
2,4-dichloro-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43977508
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2,3-dimethoxybenzamide
CID 43977611
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 43978016
4-(dimethylsulfamoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972303
4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854704
3-oxo-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzo[f]chromene-2-carboxamide
CID 43973484
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide
CID 7578257

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide?
The IUPAC name of N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide (CID 43977553) is N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide.
What is the SMILES notation for N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide?
The canonical SMILES for N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide is CN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)o2)cc1.
What is the InChIKey of N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide?
The InChIKey is SDFAOBCHBCFGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O6S/c1-28(2)35(31,32)16-10-7-15(8-11-16)22-26-27-24(34-22)25-21(29)19-13-18-17-6-4-3-5-14(17)9-12-20(18)33-23(19)30/h3-13H,1-2H3,(H,25,27,29).
What are the key properties of N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide?
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide has a molecular weight of 490.50 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide is sourced from PubChem (CID 43977553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).