N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

C20H19N3O4S — CID 24679501

IUPACN-(1,1-dioxothiolan-3-yl)-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCN(C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H19N3O4S/c1-23(17-11-12-28(25,26)13-17)20(24)16-9-7-15(8-10-16)19-22-21-18(27-19)14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3
InChIKeyMWSZJQJCDATCMY-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.66
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 24679501) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID24679501
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCN(C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)C1CCS(=O)(=O)C1
InChIInChI=1S/C20H19N3O4S/c1-23(17-11-12-28(25,26)13-17)20(24)16-9-7-15(8-10-16)19-22-21-18(27-19)14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3
InChIKeyMWSZJQJCDATCMY-UHFFFAOYSA-N
XLogP2.66
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide with MolForge

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Related Compounds

1-N-[(3R)-1,1-dioxothiolan-3-yl]-4-N-[(3S)-1,1-dioxothiolan-3-yl]-1-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 27279993
N-[(3R)-1,1-dioxothiolan-3-yl]-N,4-dimethylbenzamide
CID 7430109
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 24679427
4-acetamido-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 26009067
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 96576100
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 38832303
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-propylbenzamide
CID 47719707
2-benzoyl-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methylbenzamide
CID 7173985
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-oxopyran-3-carboxamide
CID 110697472
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-4-nitrobenzamide
CID 7064223
5-N-(1,1-dioxothiolan-3-yl)-5-N-methylpyridine-2,5-dicarboxamide
CID 47460685
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 95975999

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (CID 24679501) is N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is CN(C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is MWSZJQJCDATCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-23(17-11-12-28(25,26)13-17)20(24)16-9-7-15(8-10-16)19-22-21-18(27-19)14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 397.46 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 24679501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).