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

C12H21N3O4S — CID 113052089

IUPACN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1c(C)noc1C)C(C)C
InChIInChI=1S/C12H21N3O4S/c1-8(2)15(11(5)16)7-6-13-20(17,18)12-9(3)14-19-10(12)4/h8,13H,6-7H2,1-5H3
InChIKeyDPNCTXOMZAUHPX-UHFFFAOYSA-N
MW303.38 g/mol
LogP0.83
Rot. Bonds6

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

N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-propan-2-ylacetamide (PubChem CID 113052089) has the molecular formula C12H21N3O4S and a molecular weight of 303.38 g/mol. Its IUPAC name is N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
PubChem CID113052089
Molecular FormulaC12H21N3O4S
Molecular Weight303.38 g/mol
Exact Mass303.13
IUPAC NameN-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
SMILESCC(=O)N(CCNS(=O)(=O)c1c(C)noc1C)C(C)C
InChIInChI=1S/C12H21N3O4S/c1-8(2)15(11(5)16)7-6-13-20(17,18)12-9(3)14-19-10(12)4/h8,13H,6-7H2,1-5H3
InChIKeyDPNCTXOMZAUHPX-UHFFFAOYSA-N
XLogP0.83
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113056671
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-phenylacetamide
CID 113057272
N-(2,6-diethylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113058928
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113059002
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113061072
3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide
CID 64994317
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(3-methylphenyl)acetamide
CID 113057520
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113053499
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574106
N-(3-chloro-2-methylphenyl)-N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]acetamide
CID 113059791
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982
N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119960057

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-propan-2-ylacetamide?
The IUPAC name of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-propan-2-ylacetamide (CID 113052089) is N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-propan-2-ylacetamide?
The canonical SMILES for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-propan-2-ylacetamide is CC(=O)N(CCNS(=O)(=O)c1c(C)noc1C)C(C)C.
What is the InChIKey of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-propan-2-ylacetamide?
The InChIKey is DPNCTXOMZAUHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4S/c1-8(2)15(11(5)16)7-6-13-20(17,18)12-9(3)14-19-10(12)4/h8,13H,6-7H2,1-5H3.
What are the key properties of N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-propan-2-ylacetamide?
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-propan-2-ylacetamide has a molecular weight of 303.38 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 113052089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).