N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide

C19H18FN3O4S — CID 43971944

IUPACN-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
SMILESCc1ccc(S(=O)(=O)CCCC(=O)Nc2nnc(-c3cccc(F)c3)o2)cc1
InChIInChI=1S/C19H18FN3O4S/c1-13-7-9-16(10-8-13)28(25,26)11-3-6-17(24)21-19-23-22-18(27-19)14-4-2-5-15(20)12-14/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,21,23,24)
InChIKeyZZNKQINLDRSUDF-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.38
Rot. Bonds7

About N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide

N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide (PubChem CID 43971944) has the molecular formula C19H18FN3O4S and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
PubChem CID43971944
Molecular FormulaC19H18FN3O4S
Molecular Weight403.44 g/mol
Exact Mass403.10
IUPAC NameN-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
SMILESCc1ccc(S(=O)(=O)CCCC(=O)Nc2nnc(-c3cccc(F)c3)o2)cc1
InChIInChI=1S/C19H18FN3O4S/c1-13-7-9-16(10-8-13)28(25,26)11-3-6-17(24)21-19-23-22-18(27-19)14-4-2-5-15(20)12-14/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,21,23,24)
InChIKeyZZNKQINLDRSUDF-UHFFFAOYSA-N
XLogP3.38
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 16854630
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 16823725
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide
CID 43976534
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 43976775
N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 25283269
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 41273518
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 43975965
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 7544170
3-(benzenesulfonyl)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 7655586
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 7254358
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 41151711
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273846

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide?
The IUPAC name of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide (CID 43971944) is N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide.
What is the SMILES notation for N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide?
The canonical SMILES for N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide is Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nnc(-c3cccc(F)c3)o2)cc1.
What is the InChIKey of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide?
The InChIKey is ZZNKQINLDRSUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4S/c1-13-7-9-16(10-8-13)28(25,26)11-3-6-17(24)21-19-23-22-18(27-19)14-4-2-5-15(20)12-14/h2,4-5,7-10,12H,3,6,11H2,1H3,(H,21,23,24).
What are the key properties of N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide?
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide has a molecular weight of 403.44 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide is sourced from PubChem (CID 43971944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).