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

C18H16FN3O4S — CID 16917587

IUPAC3-(benzenesulfonyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C18H16FN3O4S/c19-14-8-6-13(7-9-14)12-17-21-22-18(26-17)20-16(23)10-11-27(24,25)15-4-2-1-3-5-15/h1-9H,10-12H2,(H,20,22,23)
InChIKeyIWKWFWUEQRSTIB-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.60
Rot. Bonds7

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

3-(benzenesulfonyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 16917587) has the molecular formula C18H16FN3O4S and a molecular weight of 389.41 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID16917587
Molecular FormulaC18H16FN3O4S
Molecular Weight389.41 g/mol
Exact Mass389.08
IUPAC Name3-(benzenesulfonyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(Cc2ccc(F)cc2)o1
InChIInChI=1S/C18H16FN3O4S/c19-14-8-6-13(7-9-14)12-17-21-22-18(26-17)20-16(23)10-11-27(24,25)15-4-2-1-3-5-15/h1-9H,10-12H2,(H,20,22,23)
InChIKeyIWKWFWUEQRSTIB-UHFFFAOYSA-N
XLogP2.60
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)sulfonyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 43973273
4-(benzenesulfonyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide
CID 43974118
3-(4-chlorophenyl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 43974095
3-(4-methoxyphenyl)sulfonyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
CID 43974123
4-(4-fluorophenyl)sulfonyl-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 44921691
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 41151711
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 44921990
N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methylsulfonylbenzamide
CID 16917609
N-[5-[2-(benzenesulfonyl)ethyl]-1,3,4-oxadiazol-2-yl]-2-naphthalen-2-ylacetamide
CID 16849494
4-(benzenesulfonyl)-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 44921689
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 43976775
2-phenyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43974889

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide (CID 16917587) is 3-(benzenesulfonyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1nnc(Cc2ccc(F)cc2)o1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is IWKWFWUEQRSTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O4S/c19-14-8-6-13(7-9-14)12-17-21-22-18(26-17)20-16(23)10-11-27(24,25)15-4-2-1-3-5-15/h1-9H,10-12H2,(H,20,22,23).
What are the key properties of 3-(benzenesulfonyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide?
3-(benzenesulfonyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 389.41 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 16917587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).