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

C14H23N3O6S2 — CID 110295833

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
SMILESCCN(C(=O)CCNS(=O)(=O)c1c(C)noc1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H23N3O6S2/c1-4-17(12-6-8-24(19,20)9-12)13(18)5-7-15-25(21,22)14-10(2)16-23-11(14)3/h12,15H,4-9H2,1-3H3
InChIKeyVHSRVWKWBVSFPC-UHFFFAOYSA-N
MW393.49 g/mol
LogP-0.00
Rot. Bonds7

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide (PubChem CID 110295833) has the molecular formula C14H23N3O6S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
PubChem CID110295833
Molecular FormulaC14H23N3O6S2
Molecular Weight393.49 g/mol
Exact Mass393.10
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
SMILESCCN(C(=O)CCNS(=O)(=O)c1c(C)noc1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H23N3O6S2/c1-4-17(12-6-8-24(19,20)9-12)13(18)5-7-15-25(21,22)14-10(2)16-23-11(14)3/h12,15H,4-9H2,1-3H3
InChIKeyVHSRVWKWBVSFPC-UHFFFAOYSA-N
XLogP-0.00
TPSA126.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide with MolForge

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 110295831
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110413204
methyl 4-[(1,1-dioxothiolan-3-yl)-ethylamino]-4-oxobutanoate
CID 110755941
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110685697
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 112994303
5-[(1,1-dioxothiolan-3-yl)-ethylamino]-5-oxopentanoic acid
CID 43399752
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016730
2-(dimethylsulfamoylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 112994297
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,1-dioxothiolan-3-yl)-N-ethylbenzamide
CID 17392981
2-bromo-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 63680610
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
CID 113052089
N-(2-ethoxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3452396

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide (CID 110295833) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide is CCN(C(=O)CCNS(=O)(=O)c1c(C)noc1C)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide?
The InChIKey is VHSRVWKWBVSFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O6S2/c1-4-17(12-6-8-24(19,20)9-12)13(18)5-7-15-25(21,22)14-10(2)16-23-11(14)3/h12,15H,4-9H2,1-3H3.
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide has a molecular weight of 393.49 g/mol, XLogP of -0.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide is sourced from PubChem (CID 110295833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).