2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide

C25H30N4O5S — CID 100801003

IUPAC2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
SMILESCC(C)c1nc(Cc2ccc(NC(=O)COc3ccc(S(=O)(=O)NC4CCCC4)cc3)cc2)no1
InChIInChI=1S/C25H30N4O5S/c1-17(2)25-27-23(28-34-25)15-18-7-9-19(10-8-18)26-24(30)16-33-21-11-13-22(14-12-21)35(31,32)29-20-5-3-4-6-20/h7-14,17,20,29H,3-6,15-16H2,1-2H3,(H,26,30)
InChIKeyOVPCKCSEQJHVGJ-UHFFFAOYSA-N
MW498.61 g/mol
LogP4.02
Rot. Bonds10

About 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide

2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide (PubChem CID 100801003) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
PubChem CID100801003
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC Name2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
SMILESCC(C)c1nc(Cc2ccc(NC(=O)COc3ccc(S(=O)(=O)NC4CCCC4)cc3)cc2)no1
InChIInChI=1S/C25H30N4O5S/c1-17(2)25-27-23(28-34-25)15-18-7-9-19(10-8-18)26-24(30)16-33-21-11-13-22(14-12-21)35(31,32)29-20-5-3-4-6-20/h7-14,17,20,29H,3-6,15-16H2,1-2H3,(H,26,30)
InChIKeyOVPCKCSEQJHVGJ-UHFFFAOYSA-N
XLogP4.02
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
CID 100800834
2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
CID 100801056
2-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
CID 100800518
methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 45374668
2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
CID 100796519
N-(4-chlorophenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374352
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 4511876
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-methylacetamide
CID 45375238
ethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 2943450
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 45375249
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1087082
N-(1,3-benzodioxol-5-yl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 1082985

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide (CID 100801003) is 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide is CC(C)c1nc(Cc2ccc(NC(=O)COc3ccc(S(=O)(=O)NC4CCCC4)cc3)cc2)no1.
What is the InChIKey of 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?
The InChIKey is OVPCKCSEQJHVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-17(2)25-27-23(28-34-25)15-18-7-9-19(10-8-18)26-24(30)16-33-21-11-13-22(14-12-21)35(31,32)29-20-5-3-4-6-20/h7-14,17,20,29H,3-6,15-16H2,1-2H3,(H,26,30).
What are the key properties of 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide has a molecular weight of 498.61 g/mol, XLogP of 4.02, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 100801003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).