N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide

C20H27N3O5S — CID 108560004

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c(C)c1
InChIInChI=1S/C20H27N3O5S/c1-13-5-6-18(14(2)11-13)27-12-19(24)21-17-7-9-23(10-8-17)29(25,26)20-15(3)22-28-16(20)4/h5-6,11,17H,7-10,12H2,1-4H3,(H,21,24)
InChIKeyXFTIALXXSMOWSW-UHFFFAOYSA-N
MW421.52 g/mol
LogP2.26
Rot. Bonds6

About N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 108560004) has the molecular formula C20H27N3O5S and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
PubChem CID108560004
Molecular FormulaC20H27N3O5S
Molecular Weight421.52 g/mol
Exact Mass421.17
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c(C)c1
InChIInChI=1S/C20H27N3O5S/c1-13-5-6-18(14(2)11-13)27-12-19(24)21-17-7-9-23(10-8-17)29(25,26)20-15(3)22-28-16(20)4/h5-6,11,17H,7-10,12H2,1-4H3,(H,21,24)
InChIKeyXFTIALXXSMOWSW-UHFFFAOYSA-N
XLogP2.26
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide with MolForge

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Related Compounds

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108560873
2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559999
N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560006
2-(2,4-dimethylphenoxy)-N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559998
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108559543
2-cyano-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetamide
CID 108558954
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide
CID 110823350
N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560030
tert-butyl N-[2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]amino]-2-oxoethyl]carbamate
CID 108558875
4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560027
N-cyclopropyl-2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6462487
N-cyclooctyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetamide
CID 26431718

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide (CID 108560004) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)NC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c(C)c1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is XFTIALXXSMOWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S/c1-13-5-6-18(14(2)11-13)27-12-19(24)21-17-7-9-23(10-8-17)29(25,26)20-15(3)22-28-16(20)4/h5-6,11,17H,7-10,12H2,1-4H3,(H,21,24).
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 421.52 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 108560004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).