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

C15H15N3O6S — CID 43947235

IUPAC3-(benzenesulfonyl)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(C2=COCCO2)o1
InChIInChI=1S/C15H15N3O6S/c19-13(6-9-25(20,21)11-4-2-1-3-5-11)16-15-18-17-14(24-15)12-10-22-7-8-23-12/h1-5,10H,6-9H2,(H,16,18,19)
InChIKeyHBQDJGHFUPZRPI-UHFFFAOYSA-N
MW365.37 g/mol
LogP1.22
Rot. Bonds6

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

3-(benzenesulfonyl)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 43947235) has the molecular formula C15H15N3O6S and a molecular weight of 365.37 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID43947235
Molecular FormulaC15H15N3O6S
Molecular Weight365.37 g/mol
Exact Mass365.07
IUPAC Name3-(benzenesulfonyl)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(C2=COCCO2)o1
InChIInChI=1S/C15H15N3O6S/c19-13(6-9-25(20,21)11-4-2-1-3-5-11)16-15-18-17-14(24-15)12-10-22-7-8-23-12/h1-5,10H,6-9H2,(H,16,18,19)
InChIKeyHBQDJGHFUPZRPI-UHFFFAOYSA-N
XLogP1.22
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide
CID 41085928
N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-3-ethylsulfonylbenzamide
CID 7579144
3-(benzenesulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 7655586
4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 16854630
3-(benzenesulfonyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 16917587
N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320710
4-(benzenesulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 41273101
3,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3329824
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 41151711
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324486
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 43976775
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 7544170

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]propanamide (CID 43947235) is 3-(benzenesulfonyl)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(C2=COCCO2)o1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is HBQDJGHFUPZRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6S/c19-13(6-9-25(20,21)11-4-2-1-3-5-11)16-15-18-17-14(24-15)12-10-22-7-8-23-12/h1-5,10H,6-9H2,(H,16,18,19).
What are the key properties of 3-(benzenesulfonyl)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]propanamide?
3-(benzenesulfonyl)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 365.37 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 43947235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).