(2S)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-sulfamoylphenyl)propanamide

C17H16N4O5S — CID 7908187

IUPAC(2S)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-sulfamoylphenyl)propanamide
SMILESC[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H16N4O5S/c1-11(16(22)20-13-4-8-15(9-5-13)27(18,23)24)26-14-6-2-12(3-7-14)17-21-19-10-25-17/h2-11H,1H3,(H,20,22)(H2,18,23,24)/t11-/m0/s1
InChIKeyKXYROXKPOHDJEB-NSHDSACASA-N
MW388.41 g/mol
LogP1.79
Rot. Bonds6

About (2S)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-sulfamoylphenyl)propanamide

(2S)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 7908187) has the molecular formula C17H16N4O5S and a molecular weight of 388.41 g/mol. Its IUPAC name is (2S)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-sulfamoylphenyl)propanamide
PubChem CID7908187
Molecular FormulaC17H16N4O5S
Molecular Weight388.41 g/mol
Exact Mass388.08
IUPAC Name(2S)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-sulfamoylphenyl)propanamide
SMILESC[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H16N4O5S/c1-11(16(22)20-13-4-8-15(9-5-13)27(18,23)24)26-14-6-2-12(3-7-14)17-21-19-10-25-17/h2-11H,1H3,(H,20,22)(H2,18,23,24)/t11-/m0/s1
InChIKeyKXYROXKPOHDJEB-NSHDSACASA-N
XLogP1.79
TPSA137.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chlorophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 78502401
(2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 7371830
(2S)-N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8851790
(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 7908176
(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 7908205
N-(3-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 42903748
(2R)-N-(3-cyanophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 7556052
(2S)-N-cyclopropyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 8528191
2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 4951220
2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2937968
(2R)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(2,3,4-trifluorophenyl)propanamide
CID 7556105
(2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 890882

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2S)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-sulfamoylphenyl)propanamide (CID 7908187) is (2S)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2S)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-sulfamoylphenyl)propanamide is C[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (2S)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is KXYROXKPOHDJEB-NSHDSACASA-N. The full InChI is InChI=1S/C17H16N4O5S/c1-11(16(22)20-13-4-8-15(9-5-13)27(18,23)24)26-14-6-2-12(3-7-14)17-21-19-10-25-17/h2-11H,1H3,(H,20,22)(H2,18,23,24)/t11-/m0/s1.
What are the key properties of (2S)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-sulfamoylphenyl)propanamide?
(2S)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 388.41 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 7908187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).