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

C21H29N3O5S — CID 53118718

IUPAC2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1CNC(=O)CC1CCN(S(=O)(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C21H29N3O5S/c1-4-28-19-8-6-5-7-18(19)14-22-20(25)13-17-9-11-24(12-10-17)30(26,27)21-15(2)23-29-16(21)3/h5-8,17H,4,9-14H2,1-3H3,(H,22,25)
InChIKeyGSVSMZYWRGCDLP-UHFFFAOYSA-N
MW435.55 g/mol
LogP2.80
Rot. Bonds8

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

2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]acetamide (PubChem CID 53118718) has the molecular formula C21H29N3O5S and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]acetamide
PubChem CID53118718
Molecular FormulaC21H29N3O5S
Molecular Weight435.55 g/mol
Exact Mass435.18
IUPAC Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccccc1CNC(=O)CC1CCN(S(=O)(=O)c2c(C)noc2C)CC1
InChIInChI=1S/C21H29N3O5S/c1-4-28-19-8-6-5-7-18(19)14-22-20(25)13-17-9-11-24(12-10-17)30(26,27)21-15(2)23-29-16(21)3/h5-8,17H,4,9-14H2,1-3H3,(H,22,25)
InChIKeyGSVSMZYWRGCDLP-UHFFFAOYSA-N
XLogP2.80
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-propylacetamide
CID 53118695
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 53118704
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 53118710
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-propoxyphenyl)piperidine-4-carboxamide
CID 55415209
2-[(3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-ethylpiperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 162808406
[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 55463467
4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]-N-ethylpiperazine-1-carboxamide
CID 53118821
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide
CID 110823350
2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]oxyindol-1-yl]acetamide
CID 126953374
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978160
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 53118707

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]acetamide (CID 53118718) is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]acetamide is CCOc1ccccc1CNC(=O)CC1CCN(S(=O)(=O)c2c(C)noc2C)CC1.
What is the InChIKey of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]acetamide?
The InChIKey is GSVSMZYWRGCDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S/c1-4-28-19-8-6-5-7-18(19)14-22-20(25)13-17-9-11-24(12-10-17)30(26,27)21-15(2)23-29-16(21)3/h5-8,17H,4,9-14H2,1-3H3,(H,22,25).
What are the key properties of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]acetamide?
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]acetamide has a molecular weight of 435.55 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 53118718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).