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

C26H32N4O5S — CID 100801056

IUPAC2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cc4noc(C(C)C)n4)cc3)cc2)CC1
InChIInChI=1S/C26H32N4O5S/c1-18(2)26-28-24(29-35-26)16-20-4-6-21(7-5-20)27-25(31)17-34-22-8-10-23(11-9-22)36(32,33)30-14-12-19(3)13-15-30/h4-11,18-19H,12-17H2,1-3H3,(H,27,31)
InChIKeyXFBBXSVTQSHAOW-UHFFFAOYSA-N
MW512.63 g/mol
LogP4.22
Rot. Bonds9

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

2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide (PubChem CID 100801056) has the molecular formula C26H32N4O5S and a molecular weight of 512.63 g/mol. Its IUPAC name is 2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
PubChem CID100801056
Molecular FormulaC26H32N4O5S
Molecular Weight512.63 g/mol
Exact Mass512.21
IUPAC Name2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cc4noc(C(C)C)n4)cc3)cc2)CC1
InChIInChI=1S/C26H32N4O5S/c1-18(2)26-28-24(29-35-26)16-20-4-6-21(7-5-20)27-25(31)17-34-22-8-10-23(11-9-22)36(32,33)30-14-12-19(3)13-15-30/h4-11,18-19H,12-17H2,1-3H3,(H,27,31)
InChIKeyXFBBXSVTQSHAOW-UHFFFAOYSA-N
XLogP4.22
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.63
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(cyclopentylsulfamoyl)phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
CID 100801003
2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
CID 100800834
2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide
CID 100796519
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
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-naphthalen-2-yloxyacetamide
CID 1010620
2-(3,5-dimethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 4510832
N-(4-propan-2-ylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 45374710
N-(4-piperidin-1-ylsulfonylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1298043
2-(4-bromophenoxy)-N-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamothioyl]acetamide
CID 3346035
N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 30656702
N-[1-(4-chlorophenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide
CID 43873496

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide (CID 100801056) is 2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide is CC1CCN(S(=O)(=O)c2ccc(OCC(=O)Nc3ccc(Cc4noc(C(C)C)n4)cc3)cc2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?
The InChIKey is XFBBXSVTQSHAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O5S/c1-18(2)26-28-24(29-35-26)16-20-4-6-21(7-5-20)27-25(31)17-34-22-8-10-23(11-9-22)36(32,33)30-14-12-19(3)13-15-30/h4-11,18-19H,12-17H2,1-3H3,(H,27,31).
What are the key properties of 2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide?
2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide has a molecular weight of 512.63 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 100801056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).