4-[butyl(methyl)sulfamoyl]-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C23H28N4O4S2 — CID 41228640

IUPAC4-[butyl(methyl)sulfamoyl]-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(SC(C)C)c3)o2)cc1
InChIInChI=1S/C23H28N4O4S2/c1-5-6-14-27(4)33(29,30)20-12-10-17(11-13-20)21(28)24-23-26-25-22(31-23)18-8-7-9-19(15-18)32-16(2)3/h7-13,15-16H,5-6,14H2,1-4H3,(H,24,26,28)
InChIKeyMFRIUUAPECWYEU-UHFFFAOYSA-N
MW488.64 g/mol
LogP4.91
Rot. Bonds10

About 4-[butyl(methyl)sulfamoyl]-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-[butyl(methyl)sulfamoyl]-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 41228640) has the molecular formula C23H28N4O4S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 4-[butyl(methyl)sulfamoyl]-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[butyl(methyl)sulfamoyl]-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID41228640
Molecular FormulaC23H28N4O4S2
Molecular Weight488.64 g/mol
Exact Mass488.16
IUPAC Name4-[butyl(methyl)sulfamoyl]-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(SC(C)C)c3)o2)cc1
InChIInChI=1S/C23H28N4O4S2/c1-5-6-14-27(4)33(29,30)20-12-10-17(11-13-20)21(28)24-23-26-25-22(31-23)18-8-7-9-19(15-18)32-16(2)3/h7-13,15-16H,5-6,14H2,1-4H3,(H,24,26,28)
InChIKeyMFRIUUAPECWYEU-UHFFFAOYSA-N
XLogP4.91
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[butyl(methyl)sulfamoyl]-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4138922
4-[butyl(methyl)sulfamoyl]-N-[5-(1,5-dimethylpyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 25283215
N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41228458
4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028147
4-[butyl(methyl)sulfamoyl]-N-[5-(2,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5054216
3,5-dimethoxy-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41228441
4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854704
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 41147646
4-(dibutylsulfamoyl)-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3373954
4-[butyl(methyl)sulfamoyl]-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974066
4-pentoxy-N-[5-(3-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41227499
N-[3-(1,3-benzoxazol-2-yl)phenyl]-4-[butyl(methyl)sulfamoyl]benzamide
CID 23797022

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)sulfamoyl]-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-[butyl(methyl)sulfamoyl]-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 41228640) is 4-[butyl(methyl)sulfamoyl]-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-[butyl(methyl)sulfamoyl]-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-[butyl(methyl)sulfamoyl]-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(SC(C)C)c3)o2)cc1.
What is the InChIKey of 4-[butyl(methyl)sulfamoyl]-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is MFRIUUAPECWYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S2/c1-5-6-14-27(4)33(29,30)20-12-10-17(11-13-20)21(28)24-23-26-25-22(31-23)18-8-7-9-19(15-18)32-16(2)3/h7-13,15-16H,5-6,14H2,1-4H3,(H,24,26,28).
What are the key properties of 4-[butyl(methyl)sulfamoyl]-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-[butyl(methyl)sulfamoyl]-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 488.64 g/mol, XLogP of 4.91, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)sulfamoyl]-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 41228640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).