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

C11H19N3O5S — CID 108574145

IUPACN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCCNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C11H19N3O5S/c1-8-11(9(2)19-14-8)20(16,17)13-6-5-12-10(15)4-7-18-3/h13H,4-7H2,1-3H3,(H,12,15)
InChIKeyZEFBSBNPOLYUMD-UHFFFAOYSA-N
MW305.36 g/mol
LogP-0.28
Rot. Bonds8

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

N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide (PubChem CID 108574145) has the molecular formula C11H19N3O5S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide
PubChem CID108574145
Molecular FormulaC11H19N3O5S
Molecular Weight305.36 g/mol
Exact Mass305.10
IUPAC NameN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide
SMILESCOCCC(=O)NCCNS(=O)(=O)c1c(C)noc1C
InChIInChI=1S/C11H19N3O5S/c1-8-11(9(2)19-14-8)20(16,17)13-6-5-12-10(15)4-7-18-3/h13H,4-7H2,1-3H3,(H,12,15)
InChIKeyZEFBSBNPOLYUMD-UHFFFAOYSA-N
XLogP-0.28
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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]-4-methylbenzamide
CID 108570686
4-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]benzamide
CID 108571321
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 108572427
5-bromo-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]furan-2-carboxamide
CID 108571899
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-2-iodobenzamide
CID 108571226
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982
N-[2-(4-chlorophenyl)sulfanylethyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 9259359
N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3452396
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]-2,3-dimethylquinoxaline-6-carboxamide
CID 108573316

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide?
The IUPAC name of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide (CID 108574145) is N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide.
What is the SMILES notation for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide?
The canonical SMILES for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide is COCCC(=O)NCCNS(=O)(=O)c1c(C)noc1C.
What is the InChIKey of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide?
The InChIKey is ZEFBSBNPOLYUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5S/c1-8-11(9(2)19-14-8)20(16,17)13-6-5-12-10(15)4-7-18-3/h13H,4-7H2,1-3H3,(H,12,15).
What are the key properties of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide?
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide has a molecular weight of 305.36 g/mol, XLogP of -0.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-3-methoxypropanamide is sourced from PubChem (CID 108574145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).