4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide

C18H20N4O5S2 — CID 55650045

IUPAC4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide
SMILESCOc1ccc(-c2noc(CCCC(=O)NCc3ccc(S(N)(=O)=O)s3)n2)cc1
InChIInChI=1S/C18H20N4O5S2/c1-26-13-7-5-12(6-8-13)18-21-16(27-22-18)4-2-3-15(23)20-11-14-9-10-17(28-14)29(19,24)25/h5-10H,2-4,11H2,1H3,(H,20,23)(H2,19,24,25)
InChIKeyIBFPUKWYKDDXMI-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.09
Rot. Bonds9

About 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide

4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide (PubChem CID 55650045) has the molecular formula C18H20N4O5S2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide
PubChem CID55650045
Molecular FormulaC18H20N4O5S2
Molecular Weight436.52 g/mol
Exact Mass436.09
IUPAC Name4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide
SMILESCOc1ccc(-c2noc(CCCC(=O)NCc3ccc(S(N)(=O)=O)s3)n2)cc1
InChIInChI=1S/C18H20N4O5S2/c1-26-13-7-5-12(6-8-13)18-21-16(27-22-18)4-2-3-15(23)20-11-14-9-10-17(28-14)29(19,24)25/h5-10H,2-4,11H2,1H3,(H,20,23)(H2,19,24,25)
InChIKeyIBFPUKWYKDDXMI-UHFFFAOYSA-N
XLogP2.09
TPSA137.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 31974397
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 55678586
N-cyclopentyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2984448
4-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]butanoic acid
CID 51064825
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(4-methoxyphenyl)propyl]butanamide
CID 55919632
N-(3,3-diphenylpropyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 38706011
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 96559554
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 23613878
N-[(5-ethylthiophen-2-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 46466275
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]butanoic acid
CID 119223782
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propanamide
CID 51132390
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-nonylpropanamide
CID 55554395

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide?
The IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide (CID 55650045) is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide is COc1ccc(-c2noc(CCCC(=O)NCc3ccc(S(N)(=O)=O)s3)n2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide?
The InChIKey is IBFPUKWYKDDXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5S2/c1-26-13-7-5-12(6-8-13)18-21-16(27-22-18)4-2-3-15(23)20-11-14-9-10-17(28-14)29(19,24)25/h5-10H,2-4,11H2,1H3,(H,20,23)(H2,19,24,25).
What are the key properties of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide?
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide has a molecular weight of 436.52 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide is sourced from PubChem (CID 55650045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).