3-(benzenesulfonyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide

C18H17N3O6S2 — CID 16799917

IUPAC3-(benzenesulfonyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCS(=O)(=O)c1cccc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccccc3)o2)c1
InChIInChI=1S/C18H17N3O6S2/c1-28(23,24)15-9-5-6-13(12-15)17-20-21-18(27-17)19-16(22)10-11-29(25,26)14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,19,21,22)
InChIKeyMYPFOSXYMVLECZ-UHFFFAOYSA-N
MW435.48 g/mol
LogP1.94
Rot. Bonds7

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

3-(benzenesulfonyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 16799917) has the molecular formula C18H17N3O6S2 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID16799917
Molecular FormulaC18H17N3O6S2
Molecular Weight435.48 g/mol
Exact Mass435.06
IUPAC Name3-(benzenesulfonyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCS(=O)(=O)c1cccc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccccc3)o2)c1
InChIInChI=1S/C18H17N3O6S2/c1-28(23,24)15-9-5-6-13(12-15)17-20-21-18(27-17)19-16(22)10-11-29(25,26)14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,19,21,22)
InChIKeyMYPFOSXYMVLECZ-UHFFFAOYSA-N
XLogP1.94
TPSA136.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide (CID 16799917) is 3-(benzenesulfonyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is CS(=O)(=O)c1cccc(-c2nnc(NC(=O)CCS(=O)(=O)c3ccccc3)o2)c1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is MYPFOSXYMVLECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O6S2/c1-28(23,24)15-9-5-6-13(12-15)17-20-21-18(27-17)19-16(22)10-11-29(25,26)14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,19,21,22).
What are the key properties of 3-(benzenesulfonyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide?
3-(benzenesulfonyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 435.48 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 16799917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).