2-methoxy-N-(2-methoxyethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]ethanesulfonamide

C14H26N2O5S — CID 166289480

IUPAC2-methoxy-N-(2-methoxyethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]ethanesulfonamide
SMILESCOCCN(Cc1cc(CC(C)C)on1)S(=O)(=O)CCOC
InChIInChI=1S/C14H26N2O5S/c1-12(2)9-14-10-13(15-21-14)11-16(5-6-19-3)22(17,18)8-7-20-4/h10,12H,5-9,11H2,1-4H3
InChIKeyZCKMPZDQJWNYDS-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.30
Rot. Bonds11

About 2-methoxy-N-(2-methoxyethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]ethanesulfonamide

2-methoxy-N-(2-methoxyethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]ethanesulfonamide (PubChem CID 166289480) has the molecular formula C14H26N2O5S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-methoxy-N-(2-methoxyethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methoxyethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]ethanesulfonamide
PubChem CID166289480
Molecular FormulaC14H26N2O5S
Molecular Weight334.44 g/mol
Exact Mass334.16
IUPAC Name2-methoxy-N-(2-methoxyethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]ethanesulfonamide
SMILESCOCCN(Cc1cc(CC(C)C)on1)S(=O)(=O)CCOC
InChIInChI=1S/C14H26N2O5S/c1-12(2)9-14-10-13(15-21-14)11-16(5-6-19-3)22(17,18)8-7-20-4/h10,12H,5-9,11H2,1-4H3
InChIKeyZCKMPZDQJWNYDS-UHFFFAOYSA-N
XLogP1.30
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methoxyethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]ethanesulfonamide?
The IUPAC name of 2-methoxy-N-(2-methoxyethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]ethanesulfonamide (CID 166289480) is 2-methoxy-N-(2-methoxyethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-methoxy-N-(2-methoxyethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]ethanesulfonamide?
The canonical SMILES for 2-methoxy-N-(2-methoxyethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]ethanesulfonamide is COCCN(Cc1cc(CC(C)C)on1)S(=O)(=O)CCOC.
What is the InChIKey of 2-methoxy-N-(2-methoxyethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]ethanesulfonamide?
The InChIKey is ZCKMPZDQJWNYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5S/c1-12(2)9-14-10-13(15-21-14)11-16(5-6-19-3)22(17,18)8-7-20-4/h10,12H,5-9,11H2,1-4H3.
What are the key properties of 2-methoxy-N-(2-methoxyethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]ethanesulfonamide?
2-methoxy-N-(2-methoxyethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]ethanesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 1.30, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methoxyethyl)-N-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 166289480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).