N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(2-ethoxyphenoxy)acetamide

C17H23N3O6S — CID 108572427

IUPACN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)NCCNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C17H23N3O6S/c1-4-24-14-7-5-6-8-15(14)25-11-16(21)18-9-10-19-27(22,23)17-12(2)20-26-13(17)3/h5-8,19H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyVOUMSMARQASXAC-UHFFFAOYSA-N
MW397.45 g/mol
LogP1.16
Rot. Bonds10

About N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(2-ethoxyphenoxy)acetamide

N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(2-ethoxyphenoxy)acetamide (PubChem CID 108572427) has the molecular formula C17H23N3O6S and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(2-ethoxyphenoxy)acetamide
PubChem CID108572427
Molecular FormulaC17H23N3O6S
Molecular Weight397.45 g/mol
Exact Mass397.13
IUPAC NameN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)NCCNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C17H23N3O6S/c1-4-24-14-7-5-6-8-15(14)25-11-16(21)18-9-10-19-27(22,23)17-12(2)20-26-13(17)3/h5-8,19H,4,9-11H2,1-3H3,(H,18,21)
InChIKeyVOUMSMARQASXAC-UHFFFAOYSA-N
XLogP1.16
TPSA119.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
CID 108572839
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574106
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108571064
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide
CID 108574145
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-iodobenzamide
CID 108571226
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[4-(2-methoxyphenyl)butyl]acetamide
CID 110616077
ethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate
CID 108572439
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-4-methylbenzamide
CID 108570686
N-[3-(2-fluorophenoxy)propyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 39666367
N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide
CID 108572434
N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3452396
4-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]benzamide
CID 108571321

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(2-ethoxyphenoxy)acetamide?
The IUPAC name of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(2-ethoxyphenoxy)acetamide (CID 108572427) is N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(2-ethoxyphenoxy)acetamide?
The canonical SMILES for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(2-ethoxyphenoxy)acetamide is CCOc1ccccc1OCC(=O)NCCNS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(2-ethoxyphenoxy)acetamide?
The InChIKey is VOUMSMARQASXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O6S/c1-4-24-14-7-5-6-8-15(14)25-11-16(21)18-9-10-19-27(22,23)17-12(2)20-26-13(17)3/h5-8,19H,4,9-11H2,1-3H3,(H,18,21).
What are the key properties of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(2-ethoxyphenoxy)acetamide?
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(2-ethoxyphenoxy)acetamide has a molecular weight of 397.45 g/mol, XLogP of 1.16, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 108572427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).