2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide

C11H19N3O4S — CID 42771763

IUPAC2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCC(C)CCN(CC(=O)Nc1ccon1)S(C)(=O)=O
InChIInChI=1S/C11H19N3O4S/c1-9(2)4-6-14(19(3,16)17)8-11(15)12-10-5-7-18-13-10/h5,7,9H,4,6,8H2,1-3H3,(H,12,13,15)
InChIKeyFZFBODKDSFOXHV-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.92
Rot. Bonds7

About 2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide

2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 42771763) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide
PubChem CID42771763
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide
SMILESCC(C)CCN(CC(=O)Nc1ccon1)S(C)(=O)=O
InChIInChI=1S/C11H19N3O4S/c1-9(2)4-6-14(19(3,16)17)8-11(15)12-10-5-7-18-13-10/h5,7,9H,4,6,8H2,1-3H3,(H,12,13,15)
InChIKeyFZFBODKDSFOXHV-UHFFFAOYSA-N
XLogP0.92
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methylbutyl(methylsulfonyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4105604
4-methyl-N-(1,2-oxazol-3-yl)pentanamide
CID 130694533
N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 4087473
2-[2-methylpropyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(1,2-oxazol-3-yl)acetamide
CID 3475612
N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 4087470
N-(4-bromophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153304
N-(1,3-benzodioxol-5-yl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153343
N-(2,6-dichlorophenyl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153356
2-[butylsulfonyl(pentyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42664185
2-[butylsulfonyl(hexyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42770970
2-[3-methylbutyl(methylsulfonyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 113153366
2-[3-methylbutyl(naphthalen-1-ylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 42769320

Frequently Asked Questions

What is the IUPAC name of 2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide (CID 42771763) is 2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide is CC(C)CCN(CC(=O)Nc1ccon1)S(C)(=O)=O.
What is the InChIKey of 2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is FZFBODKDSFOXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-9(2)4-6-14(19(3,16)17)8-11(15)12-10-5-7-18-13-10/h5,7,9H,4,6,8H2,1-3H3,(H,12,13,15).
What are the key properties of 2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide?
2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 289.36 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methylbutyl(methylsulfonyl)amino]-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 42771763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).