2-[2-methyl-4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide

C14H20N2O5S — CID 102551738

IUPAC2-[2-methyl-4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide
SMILESCc1cc(S(=O)(=O)NCC2CCCO2)ccc1OCC(N)=O
InChIInChI=1S/C14H20N2O5S/c1-10-7-12(4-5-13(10)21-9-14(15)17)22(18,19)16-8-11-3-2-6-20-11/h4-5,7,11,16H,2-3,6,8-9H2,1H3,(H2,15,17)
InChIKeyVYIWWWDHUKXEMW-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.32
Rot. Bonds7

About 2-[2-methyl-4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide

2-[2-methyl-4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide (PubChem CID 102551738) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[2-methyl-4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-methyl-4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide
PubChem CID102551738
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name2-[2-methyl-4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide
SMILESCc1cc(S(=O)(=O)NCC2CCCO2)ccc1OCC(N)=O
InChIInChI=1S/C14H20N2O5S/c1-10-7-12(4-5-13(10)21-9-14(15)17)22(18,19)16-8-11-3-2-6-20-11/h4-5,7,11,16H,2-3,6,8-9H2,1H3,(H2,15,17)
InChIKeyVYIWWWDHUKXEMW-UHFFFAOYSA-N
XLogP0.32
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-butoxy-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 40793365
2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 2987091
2-[2-chloro-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenoxy]acetic acid
CID 146130981
(2-amino-2-oxoethyl) 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976955
N-[2-ethoxy-5-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 6458754
N-[[(2S)-oxolan-2-yl]methyl]-3,4-dipropoxybenzenesulfonamide
CID 95864984
N-[2-methoxy-5-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide
CID 42066685
ethyl 2-[4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetate
CID 2943598
2-methyl-5-(oxolan-2-ylmethylsulfamoyl)benzoic acid
CID 43081600
3-iodo-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1248695
2-(2-bromo-4-methylphenoxy)-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 17161178
N,2-dimethyl-5-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 7477477

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide?
The IUPAC name of 2-[2-methyl-4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide (CID 102551738) is 2-[2-methyl-4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for 2-[2-methyl-4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for 2-[2-methyl-4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide is Cc1cc(S(=O)(=O)NCC2CCCO2)ccc1OCC(N)=O.
What is the InChIKey of 2-[2-methyl-4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide?
The InChIKey is VYIWWWDHUKXEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-10-7-12(4-5-13(10)21-9-14(15)17)22(18,19)16-8-11-3-2-6-20-11/h4-5,7,11,16H,2-3,6,8-9H2,1H3,(H2,15,17).
What are the key properties of 2-[2-methyl-4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide?
2-[2-methyl-4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide has a molecular weight of 328.39 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(oxolan-2-ylmethylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 102551738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).