2-(2-methyl-4-sulfamoylphenoxy)-N-propan-2-ylpropanamide

C13H20N2O4S — CID 82921728

IUPAC2-(2-methyl-4-sulfamoylphenoxy)-N-propan-2-ylpropanamide
SMILESCc1cc(S(N)(=O)=O)ccc1OC(C)C(=O)NC(C)C
InChIInChI=1S/C13H20N2O4S/c1-8(2)15-13(16)10(4)19-12-6-5-11(7-9(12)3)20(14,17)18/h5-8,10H,1-4H3,(H,15,16)(H2,14,17,18)
InChIKeyNOWDOWBYLRUMQO-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.93
Rot. Bonds5

About 2-(2-methyl-4-sulfamoylphenoxy)-N-propan-2-ylpropanamide

2-(2-methyl-4-sulfamoylphenoxy)-N-propan-2-ylpropanamide (PubChem CID 82921728) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-(2-methyl-4-sulfamoylphenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-methyl-4-sulfamoylphenoxy)-N-propan-2-ylpropanamide
PubChem CID82921728
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name2-(2-methyl-4-sulfamoylphenoxy)-N-propan-2-ylpropanamide
SMILESCc1cc(S(N)(=O)=O)ccc1OC(C)C(=O)NC(C)C
InChIInChI=1S/C13H20N2O4S/c1-8(2)15-13(16)10(4)19-12-6-5-11(7-9(12)3)20(14,17)18/h5-8,10H,1-4H3,(H,15,16)(H2,14,17,18)
InChIKeyNOWDOWBYLRUMQO-UHFFFAOYSA-N
XLogP0.93
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride
CID 82917077
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1294665
4-[1-(ethylamino)-1-oxopropan-2-yl]oxy-3-methylbenzenesulfonyl chloride
CID 82917549
2-(2,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 133165674
2-(2,4-dimethyl-6-sulfamoylphenoxy)-N-propan-2-ylpropanamide
CID 82917914
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-propan-2-ylpropanamide
CID 63367220
(2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100569830
ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]propanoate
CID 47494461
2-(2-propan-2-yl-4-sulfamoylphenoxy)propanamide
CID 82914671
2-(2,5-dimethyl-4-sulfamoylphenoxy)-N-methylpropanamide
CID 82912061
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
N-butyl-2-(2-chloro-4-sulfamoylphenoxy)propanamide
CID 82913977

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-sulfamoylphenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(2-methyl-4-sulfamoylphenoxy)-N-propan-2-ylpropanamide (CID 82921728) is 2-(2-methyl-4-sulfamoylphenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(2-methyl-4-sulfamoylphenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(2-methyl-4-sulfamoylphenoxy)-N-propan-2-ylpropanamide is Cc1cc(S(N)(=O)=O)ccc1OC(C)C(=O)NC(C)C.
What is the InChIKey of 2-(2-methyl-4-sulfamoylphenoxy)-N-propan-2-ylpropanamide?
The InChIKey is NOWDOWBYLRUMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-8(2)15-13(16)10(4)19-12-6-5-11(7-9(12)3)20(14,17)18/h5-8,10H,1-4H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-(2-methyl-4-sulfamoylphenoxy)-N-propan-2-ylpropanamide?
2-(2-methyl-4-sulfamoylphenoxy)-N-propan-2-ylpropanamide has a molecular weight of 300.38 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-sulfamoylphenoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 82921728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).