3,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]-1,2-oxazole-4-sulfonamide

C12H18N4O6S2 — CID 113072605

IUPAC3,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1cc(N(CCNS(=O)(=O)c2c(C)noc2C)S(C)(=O)=O)no1
InChIInChI=1S/C12H18N4O6S2/c1-8-7-11(15-21-8)16(23(4,17)18)6-5-13-24(19,20)12-9(2)14-22-10(12)3/h7,13H,5-6H2,1-4H3
InChIKeyGAGYNTURFRLUCT-UHFFFAOYSA-N
MW378.43 g/mol
LogP0.33
Rot. Bonds7

About 3,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]-1,2-oxazole-4-sulfonamide (PubChem CID 113072605) has the molecular formula C12H18N4O6S2 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]-1,2-oxazole-4-sulfonamide
PubChem CID113072605
Molecular FormulaC12H18N4O6S2
Molecular Weight378.43 g/mol
Exact Mass378.07
IUPAC Name3,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1cc(N(CCNS(=O)(=O)c2c(C)noc2C)S(C)(=O)=O)no1
InChIInChI=1S/C12H18N4O6S2/c1-8-7-11(15-21-8)16(23(4,17)18)6-5-13-24(19,20)12-9(2)14-22-10(12)3/h7,13H,5-6H2,1-4H3
InChIKeyGAGYNTURFRLUCT-UHFFFAOYSA-N
XLogP0.33
TPSA135.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

5-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]thiophene-2-sulfonamide
CID 113072599
tert-butyl N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]carbamate
CID 113072577
3,5-dimethyl-N-[2-(methylamino)ethyl]-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119972982
N-[2-[cyclohexyl(methylsulfonyl)amino]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113065877
3,5-dimethyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-1,2-oxazole-4-sulfonamide
CID 113067318
N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119960057
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-propan-2-ylacetamide
CID 113052089
N-(5-methyl-1,2-oxazol-3-yl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147451
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-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]-N-(3-methylphenyl)acetamide
CID 113057520
3,4-difluoro-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]benzamide
CID 113072565

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]-1,2-oxazole-4-sulfonamide (CID 113072605) is 3,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]-1,2-oxazole-4-sulfonamide is Cc1cc(N(CCNS(=O)(=O)c2c(C)noc2C)S(C)(=O)=O)no1.
What is the InChIKey of 3,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is GAGYNTURFRLUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O6S2/c1-8-7-11(15-21-8)16(23(4,17)18)6-5-13-24(19,20)12-9(2)14-22-10(12)3/h7,13H,5-6H2,1-4H3.
What are the key properties of 3,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 378.43 g/mol, XLogP of 0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]ethyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 113072605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).