N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide

C21H17N3O4S — CID 43978016

IUPACN-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
SMILESCCS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3cccc4ccccc34)o2)cc1
InChIInChI=1S/C21H17N3O4S/c1-2-29(26,27)16-12-10-15(11-13-16)20-23-24-21(28-20)22-19(25)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,2H2,1H3,(H,22,24,25)
InChIKeyPOMVXMBSAKFMFS-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.94
Rot. Bonds5

About N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide

N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide (PubChem CID 43978016) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
PubChem CID43978016
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC NameN-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
SMILESCCS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3cccc4ccccc34)o2)cc1
InChIInChI=1S/C21H17N3O4S/c1-2-29(26,27)16-12-10-15(11-13-16)20-23-24-21(28-20)22-19(25)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,2H2,1H3,(H,22,24,25)
InChIKeyPOMVXMBSAKFMFS-UHFFFAOYSA-N
XLogP3.94
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 43978010
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-methylsulfanylbenzamide
CID 43978062
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-nitrobenzamide
CID 43978011
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43978018
N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 41227527
4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854620
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide
CID 43977940
2,4-dichloro-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43977959
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 43976193
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43978019
2-ethylsulfonyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972467
N-[5-(1,2-oxazol-5-yl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide
CID 16861328

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide (CID 43978016) is N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide is CCS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3cccc4ccccc34)o2)cc1.
What is the InChIKey of N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide?
The InChIKey is POMVXMBSAKFMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S/c1-2-29(26,27)16-12-10-15(11-13-16)20-23-24-21(28-20)22-19(25)18-9-5-7-14-6-3-4-8-17(14)18/h3-13H,2H2,1H3,(H,22,24,25).
What are the key properties of N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide?
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 43978016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).