N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide

C19H13N3O6S — CID 7578257

IUPACN-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide
SMILESCS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3cc4ccccc4oc3=O)o2)c1
InChIInChI=1S/C19H13N3O6S/c1-29(25,26)13-7-4-6-12(9-13)17-21-22-19(28-17)20-16(23)14-10-11-5-2-3-8-15(11)27-18(14)24/h2-10H,1H3,(H,20,22,23)
InChIKeyQIYMHXJSHVBQER-UHFFFAOYSA-N
MW411.40 g/mol
LogP2.50
Rot. Bonds4

About N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide

N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide (PubChem CID 7578257) has the molecular formula C19H13N3O6S and a molecular weight of 411.40 g/mol. Its IUPAC name is N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide
PubChem CID7578257
Molecular FormulaC19H13N3O6S
Molecular Weight411.40 g/mol
Exact Mass411.05
IUPAC NameN-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide
SMILESCS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3cc4ccccc4oc3=O)o2)c1
InChIInChI=1S/C19H13N3O6S/c1-29(25,26)13-7-4-6-12(9-13)17-21-22-19(28-17)20-16(23)14-10-11-5-2-3-8-15(11)27-18(14)24/h2-10H,1H3,(H,20,22,23)
InChIKeyQIYMHXJSHVBQER-UHFFFAOYSA-N
XLogP2.50
TPSA132.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16822896
2,5-dichloro-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028245
2-(benzenesulfonamido)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977226
N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43977757
5-methyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 43977835
N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 41227527
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide
CID 43976714
N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide
CID 16854172
2-ethyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]pyrazole-3-carboxamide
CID 43977881
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-oxobenzo[f]chromene-2-carboxamide
CID 43977553
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
CID 7565715
2-(4-fluorophenyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977726

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide (CID 7578257) is N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide is CS(=O)(=O)c1cccc(-c2nnc(NC(=O)c3cc4ccccc4oc3=O)o2)c1.
What is the InChIKey of N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide?
The InChIKey is QIYMHXJSHVBQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O6S/c1-29(25,26)13-7-4-6-12(9-13)17-21-22-19(28-17)20-16(23)14-10-11-5-2-3-8-15(11)27-18(14)24/h2-10H,1H3,(H,20,22,23).
What are the key properties of N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide?
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide has a molecular weight of 411.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 7578257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).