N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide

C20H24N4O4S2 — CID 86974213

IUPACN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESCC(C)(C)c1nc(CNC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)no1
InChIInChI=1S/C20H24N4O4S2/c1-20(2,3)19-23-17(24-28-19)13-21-18(25)14-6-8-16(9-7-14)30(26,27)22-11-10-15-5-4-12-29-15/h4-9,12,22H,10-11,13H2,1-3H3,(H,21,25)
InChIKeyCEFNOAHLRRMAMD-UHFFFAOYSA-N
MW448.57 g/mol
LogP2.88
Rot. Bonds8

About N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide

N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (PubChem CID 86974213) has the molecular formula C20H24N4O4S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
PubChem CID86974213
Molecular FormulaC20H24N4O4S2
Molecular Weight448.57 g/mol
Exact Mass448.12
IUPAC NameN-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
SMILESCC(C)(C)c1nc(CNC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)no1
InChIInChI=1S/C20H24N4O4S2/c1-20(2,3)19-23-17(24-28-19)13-21-18(25)14-6-8-16(9-7-14)30(26,27)22-11-10-15-5-4-12-29-15/h4-9,12,22H,10-11,13H2,1-3H3,(H,21,25)
InChIKeyCEFNOAHLRRMAMD-UHFFFAOYSA-N
XLogP2.88
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30854127
N-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55976933
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 110294366
N-(1-phenylethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 46596325
N-(3-hydroxy-2-pyridinyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 31909402
N-(pyrrolidin-2-ylmethyl)-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 119512591
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dichlorobenzenesulfonamide
CID 110294380
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55835655
N-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30853178
N-[2-(ethylamino)ethyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119505533
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-chlorobenzamide
CID 110294332
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methoxybenzamide
CID 110294299

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The IUPAC name of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide (CID 86974213) is N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The canonical SMILES for N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is CC(C)(C)c1nc(CNC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)no1.
What is the InChIKey of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
The InChIKey is CEFNOAHLRRMAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S2/c1-20(2,3)19-23-17(24-28-19)13-21-18(25)14-6-8-16(9-7-14)30(26,27)22-11-10-15-5-4-12-29-15/h4-9,12,22H,10-11,13H2,1-3H3,(H,21,25).
What are the key properties of N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide?
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide has a molecular weight of 448.57 g/mol, XLogP of 2.88, 8 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]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide is sourced from PubChem (CID 86974213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).