N-[5-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]-2-methylsulfanylphenyl]acetamide

C23H28N4O4S2 — CID 100539577

IUPACN-[5-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1NC(C)=O
InChIInChI=1S/C23H28N4O4S2/c1-15(28)24-19-13-18(11-12-20(19)32-6)33(29,30)27(5)14-21-25-22(26-31-21)16-7-9-17(10-8-16)23(2,3)4/h7-13H,14H2,1-6H3,(H,24,28)
InChIKeyIXEAYCGBQSVWRD-UHFFFAOYSA-N
MW488.64 g/mol
LogP4.54
Rot. Bonds7

About N-[5-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]-2-methylsulfanylphenyl]acetamide

N-[5-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]-2-methylsulfanylphenyl]acetamide (PubChem CID 100539577) has the molecular formula C23H28N4O4S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is N-[5-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]-2-methylsulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]-2-methylsulfanylphenyl]acetamide
PubChem CID100539577
Molecular FormulaC23H28N4O4S2
Molecular Weight488.64 g/mol
Exact Mass488.16
IUPAC NameN-[5-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]-2-methylsulfanylphenyl]acetamide
SMILESCSc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1NC(C)=O
InChIInChI=1S/C23H28N4O4S2/c1-15(28)24-19-13-18(11-12-20(19)32-6)33(29,30)27(5)14-21-25-22(26-31-21)16-7-9-17(10-8-16)23(2,3)4/h7-13H,14H2,1-6H3,(H,24,28)
InChIKeyIXEAYCGBQSVWRD-UHFFFAOYSA-N
XLogP4.54
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[methyl-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100606261
N-[4-[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]sulfamoyl]phenyl]acetamide
CID 6485283
N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100699712
4-fluoro-N,3-dimethyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 100696977
N-[4-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]phenyl]acetamide
CID 17101470
N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 100739120
4-fluoro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N,3-dimethylbenzenesulfonamide
CID 100697046
N-[5-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 100605674
N-[[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]-N,3,4-trimethylbenzenesulfonamide;hydrochloride
CID 120892412
(2R)-2-(4-tert-butylphenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropanamide
CID 97267380
N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 23608395
N-[5-[(2-methoxyphenyl)methyl-methylsulfamoyl]-2-methylsulfanylphenyl]-2-methylpropanamide
CID 100768809

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]-2-methylsulfanylphenyl]acetamide?
The IUPAC name of N-[5-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]-2-methylsulfanylphenyl]acetamide (CID 100539577) is N-[5-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]-2-methylsulfanylphenyl]acetamide.
What is the SMILES notation for N-[5-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]-2-methylsulfanylphenyl]acetamide?
The canonical SMILES for N-[5-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]-2-methylsulfanylphenyl]acetamide is CSc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1NC(C)=O.
What is the InChIKey of N-[5-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]-2-methylsulfanylphenyl]acetamide?
The InChIKey is IXEAYCGBQSVWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S2/c1-15(28)24-19-13-18(11-12-20(19)32-6)33(29,30)27(5)14-21-25-22(26-31-21)16-7-9-17(10-8-16)23(2,3)4/h7-13H,14H2,1-6H3,(H,24,28).
What are the key properties of N-[5-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]-2-methylsulfanylphenyl]acetamide?
N-[5-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]-2-methylsulfanylphenyl]acetamide has a molecular weight of 488.64 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl-methylsulfamoyl]-2-methylsulfanylphenyl]acetamide is sourced from PubChem (CID 100539577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).