N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide

C20H16N4O6S — CID 44921756

IUPACN-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1nnc(CS(=O)(=O)c2ccccc2)o1)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C20H16N4O6S/c25-17-9-10-18(26)24(17)14-6-4-5-13(11-14)19(27)21-20-23-22-16(30-20)12-31(28,29)15-7-2-1-3-8-15/h1-8,11H,9-10,12H2,(H,21,23,27)
InChIKeyVQLRIMSCBDFCQA-UHFFFAOYSA-N
MW440.44 g/mol
LogP1.95
Rot. Bonds6

About N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide

N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 44921756) has the molecular formula C20H16N4O6S and a molecular weight of 440.44 g/mol. Its IUPAC name is N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID44921756
Molecular FormulaC20H16N4O6S
Molecular Weight440.44 g/mol
Exact Mass440.08
IUPAC NameN-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(Nc1nnc(CS(=O)(=O)c2ccccc2)o1)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C20H16N4O6S/c25-17-9-10-18(26)24(17)14-6-4-5-13(11-14)19(27)21-20-23-22-16(30-20)12-31(28,29)15-7-2-1-3-8-15/h1-8,11H,9-10,12H2,(H,21,23,27)
InChIKeyVQLRIMSCBDFCQA-UHFFFAOYSA-N
XLogP1.95
TPSA139.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-bromobenzamide
CID 44921722
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 44921813
methyl 4-[[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 44921757
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 16821894
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,2-diphenylacetamide
CID 44921766
3-(2,5-dioxopyrrolidin-1-yl)-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7577981
N-[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 2104560
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
CID 44921726
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 31493862
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylbenzamide
CID 44921964
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 44921935
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55434210

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 44921756) is N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide is O=C(Nc1nnc(CS(=O)(=O)c2ccccc2)o1)c1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is VQLRIMSCBDFCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O6S/c25-17-9-10-18(26)24(17)14-6-4-5-13(11-14)19(27)21-20-23-22-16(30-20)12-31(28,29)15-7-2-1-3-8-15/h1-8,11H,9-10,12H2,(H,21,23,27).
What are the key properties of N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 440.44 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonylmethyl)-1,3,4-oxadiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 44921756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).