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

C15H15N3O6S — CID 7579144

IUPACN-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-3-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1cccc(C(=O)Nc2nnc(C3=COCCO3)o2)c1
InChIInChI=1S/C15H15N3O6S/c1-2-25(20,21)11-5-3-4-10(8-11)13(19)16-15-18-17-14(24-15)12-9-22-6-7-23-12/h3-5,8-9H,2,6-7H2,1H3,(H,16,18,19)
InChIKeyDFUOMRRWZLELKP-UHFFFAOYSA-N
MW365.37 g/mol
LogP1.46
Rot. Bonds5

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

N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-3-ethylsulfonylbenzamide (PubChem CID 7579144) has the molecular formula C15H15N3O6S and a molecular weight of 365.37 g/mol. Its IUPAC name is N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-3-ethylsulfonylbenzamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-3-ethylsulfonylbenzamide
PubChem CID7579144
Molecular FormulaC15H15N3O6S
Molecular Weight365.37 g/mol
Exact Mass365.07
IUPAC NameN-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-3-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1cccc(C(=O)Nc2nnc(C3=COCCO3)o2)c1
InChIInChI=1S/C15H15N3O6S/c1-2-25(20,21)11-5-3-4-10(8-11)13(19)16-15-18-17-14(24-15)12-9-22-6-7-23-12/h3-5,8-9H,2,6-7H2,1H3,(H,16,18,19)
InChIKeyDFUOMRRWZLELKP-UHFFFAOYSA-N
XLogP1.46
TPSA120.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-ethylsulfonylbenzamide
CID 7295245
3,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3329824
3-(benzenesulfonyl)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43947235
N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
CID 7267152
3-ethylsulfonyl-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975189
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43978018
3-ethylsulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974102
2,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
CID 3638452
3-propan-2-ylsulfonyl-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41227747
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-methylsulfonylbenzamide
CID 7655762
3-methylsulfonyl-N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16861367
3-(benzenesulfonamido)-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16822797

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-3-ethylsulfonylbenzamide?
The IUPAC name of N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-3-ethylsulfonylbenzamide (CID 7579144) is N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-3-ethylsulfonylbenzamide.
What is the SMILES notation for N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-3-ethylsulfonylbenzamide?
The canonical SMILES for N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-3-ethylsulfonylbenzamide is CCS(=O)(=O)c1cccc(C(=O)Nc2nnc(C3=COCCO3)o2)c1.
What is the InChIKey of N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-3-ethylsulfonylbenzamide?
The InChIKey is DFUOMRRWZLELKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6S/c1-2-25(20,21)11-5-3-4-10(8-11)13(19)16-15-18-17-14(24-15)12-9-22-6-7-23-12/h3-5,8-9H,2,6-7H2,1H3,(H,16,18,19).
What are the key properties of N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-3-ethylsulfonylbenzamide?
N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-3-ethylsulfonylbenzamide has a molecular weight of 365.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-3-ethylsulfonylbenzamide is sourced from PubChem (CID 7579144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).