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

C19H20N4O5S2 — CID 25432599

IUPAC(2R)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
SMILESCc1cccc(OCc2nnc(S[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)c1
InChIInChI=1S/C19H20N4O5S2/c1-12-4-3-5-15(10-12)27-11-17-22-23-19(28-17)29-13(2)18(24)21-14-6-8-16(9-7-14)30(20,25)26/h3-10,13H,11H2,1-2H3,(H,21,24)(H2,20,25,26)/t13-/m1/s1
InChIKeyGWUODXNOFZLBIE-CYBMUJFWSA-N
MW448.53 g/mol
LogP2.72
Rot. Bonds8

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

(2R)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide (PubChem CID 25432599) has the molecular formula C19H20N4O5S2 and a molecular weight of 448.53 g/mol. Its IUPAC name is (2R)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
PubChem CID25432599
Molecular FormulaC19H20N4O5S2
Molecular Weight448.53 g/mol
Exact Mass448.09
IUPAC Name(2R)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
SMILESCc1cccc(OCc2nnc(S[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)c1
InChIInChI=1S/C19H20N4O5S2/c1-12-4-3-5-15(10-12)27-11-17-22-23-19(28-17)29-13(2)18(24)21-14-6-8-16(9-7-14)30(20,25)26/h3-10,13H,11H2,1-2H3,(H,21,24)(H2,20,25,26)/t13-/m1/s1
InChIKeyGWUODXNOFZLBIE-CYBMUJFWSA-N
XLogP2.72
TPSA137.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2R)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-(4-fluorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7612344
(2S)-N-(3-chlorophenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7611624
N-(1,3-benzodioxol-5-yl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 17473901
2-[[5-[(4-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-sulfamoylphenyl)propanamide
CID 45355207
N-[4-[2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]phenyl]acetamide
CID 2562739
2-(3-methylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 675979
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-(3-methylphenoxy)propanoate
CID 9139387
N-(4-ethylphenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7612718
3-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 30099546
(2S)-2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 2663382
(2S)-2-[[5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 862352
N-(3-methoxyphenyl)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7612561

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2R)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide (CID 25432599) is (2R)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2R)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide is Cc1cccc(OCc2nnc(S[C@H](C)C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)c1.
What is the InChIKey of (2R)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is GWUODXNOFZLBIE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N4O5S2/c1-12-4-3-5-15(10-12)27-11-17-22-23-19(28-17)29-13(2)18(24)21-14-6-8-16(9-7-14)30(20,25)26/h3-10,13H,11H2,1-2H3,(H,21,24)(H2,20,25,26)/t13-/m1/s1.
What are the key properties of (2R)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide?
(2R)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 448.53 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 25432599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).