N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide

C19H22N4O4S2 — CID 86974192

IUPACN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
SMILESCC(C)(C)c1nc(CNC(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)no1
InChIInChI=1S/C19H22N4O4S2/c1-19(2,3)18-21-15(22-27-18)12-20-16(24)11-13-6-8-14(9-7-13)23-29(25,26)17-5-4-10-28-17/h4-10,23H,11-12H2,1-3H3,(H,20,24)
InChIKeyADBHMXRKWMEANY-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.09
Rot. Bonds7

About N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide

N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide (PubChem CID 86974192) has the molecular formula C19H22N4O4S2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
PubChem CID86974192
Molecular FormulaC19H22N4O4S2
Molecular Weight434.54 g/mol
Exact Mass434.11
IUPAC NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
SMILESCC(C)(C)c1nc(CNC(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)no1
InChIInChI=1S/C19H22N4O4S2/c1-19(2,3)18-21-15(22-27-18)12-20-16(24)11-13-6-8-14(9-7-13)23-29(25,26)17-5-4-10-28-17/h4-10,23H,11-12H2,1-3H3,(H,20,24)
InChIKeyADBHMXRKWMEANY-UHFFFAOYSA-N
XLogP3.09
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide with MolForge

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Related Compounds

5-tert-butyl-3-(thiophen-2-ylsulfonylmethyl)-1,2,4-oxadiazole
CID 59848498
N-[(4-cyanophenyl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 46591163
N-pentyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39266553
4-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
CID 119170907
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55693970
N-(4-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39154419
3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
CID 119221285
N-(3-aminopropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide;hydrochloride
CID 119408784
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 86974213
N-[2-(diethylamino)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55656034
N-(1-hydroxypropan-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 78856474
N-(3-propan-2-yloxypropyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39397239

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide (CID 86974192) is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide.
What is the SMILES notation for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The canonical SMILES for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide is CC(C)(C)c1nc(CNC(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)no1.
What is the InChIKey of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
The InChIKey is ADBHMXRKWMEANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S2/c1-19(2,3)18-21-15(22-27-18)12-20-16(24)11-13-6-8-14(9-7-13)23-29(25,26)17-5-4-10-28-17/h4-10,23H,11-12H2,1-3H3,(H,20,24).
What are the key properties of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide?
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide has a molecular weight of 434.54 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide is sourced from PubChem (CID 86974192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).