2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide

C18H17FN4O5S2 — CID 45355207

IUPAC2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide
SMILESCC(Sc1nnc(COc2ccc(F)cc2)o1)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C18H17FN4O5S2/c1-11(17(24)21-13-3-2-4-15(9-13)30(20,25)26)29-18-23-22-16(28-18)10-27-14-7-5-12(19)6-8-14/h2-9,11H,10H2,1H3,(H,21,24)(H2,20,25,26)
InChIKeyCMAQSNHGWIKSDL-UHFFFAOYSA-N
MW452.49 g/mol
LogP2.55
Rot. Bonds8

About 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide

2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide (PubChem CID 45355207) has the molecular formula C18H17FN4O5S2 and a molecular weight of 452.49 g/mol. Its IUPAC name is 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide
PubChem CID45355207
Molecular FormulaC18H17FN4O5S2
Molecular Weight452.49 g/mol
Exact Mass452.06
IUPAC Name2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide
SMILESCC(Sc1nnc(COc2ccc(F)cc2)o1)C(=O)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C18H17FN4O5S2/c1-11(17(24)21-13-3-2-4-15(9-13)30(20,25)26)29-18-23-22-16(28-18)10-27-14-7-5-12(19)6-8-14/h2-9,11H,10H2,1H3,(H,21,24)(H2,20,25,26)
InChIKeyCMAQSNHGWIKSDL-UHFFFAOYSA-N
XLogP2.55
TPSA137.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 25432599
(2R)-N-(4-fluorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7612344
(2R)-2-(4-fluorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide
CID 40741893
(2S)-N-(3-chlorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7611624
2-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide
CID 24500372
(2R)-N-(3-fluorophenyl)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8854214
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-sulfamoylphenyl)propanamide
CID 46620208
N-(4-bromo-2-fluorophenyl)-2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 42889115
(2R)-2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide
CID 27069345
N-(1,3-benzodioxol-5-yl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 17473901
(2R)-N-(3-sulfamoylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanamide
CID 8935752
(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfanylpropanamide
CID 7553941

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide?
The IUPAC name of 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide (CID 45355207) is 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide is CC(Sc1nnc(COc2ccc(F)cc2)o1)C(=O)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide?
The InChIKey is CMAQSNHGWIKSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O5S2/c1-11(17(24)21-13-3-2-4-15(9-13)30(20,25)26)29-18-23-22-16(28-18)10-27-14-7-5-12(19)6-8-14/h2-9,11H,10H2,1H3,(H,21,24)(H2,20,25,26).
What are the key properties of 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide?
2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide has a molecular weight of 452.49 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide is sourced from PubChem (CID 45355207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).