2-(3-methyl-4-sulfamoylphenoxy)propanamide

C10H14N2O4S — CID 82915497

IUPAC2-(3-methyl-4-sulfamoylphenoxy)propanamide
SMILESCc1cc(OC(C)C(N)=O)ccc1S(N)(=O)=O
InChIInChI=1S/C10H14N2O4S/c1-6-5-8(16-7(2)10(11)13)3-4-9(6)17(12,14)15/h3-5,7H,1-2H3,(H2,11,13)(H2,12,14,15)
InChIKeyXVZKNSNEHYFCIX-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.10
Rot. Bonds4

About 2-(3-methyl-4-sulfamoylphenoxy)propanamide

2-(3-methyl-4-sulfamoylphenoxy)propanamide (PubChem CID 82915497) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(3-methyl-4-sulfamoylphenoxy)propanamide.

Molecular Properties

Compound Name2-(3-methyl-4-sulfamoylphenoxy)propanamide
PubChem CID82915497
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name2-(3-methyl-4-sulfamoylphenoxy)propanamide
SMILESCc1cc(OC(C)C(N)=O)ccc1S(N)(=O)=O
InChIInChI=1S/C10H14N2O4S/c1-6-5-8(16-7(2)10(11)13)3-4-9(6)17(12,14)15/h3-5,7H,1-2H3,(H2,11,13)(H2,12,14,15)
InChIKeyXVZKNSNEHYFCIX-UHFFFAOYSA-N
XLogP-0.10
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-4-sulfamoylphenoxy)-N-propylpropanamide
CID 82914816
2-methyl-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonamide
CID 82915807
2-(4-bromo-3-methylphenoxy)propanamide
CID 81302434
2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242
4-(3,4-dimethylphenoxy)-2-methylbenzenesulfonamide
CID 43436537
2-(4-bromo-3-formylphenoxy)propanamide
CID 81494404
(2R)-2-(4-hydroxyphenoxy)propanamide
CID 67641252
4-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-2-methylbenzenesulfonyl chloride
CID 82916562
(2S)-2-(4-tert-butylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9141292
2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2937968
4-(2-methoxyphenoxy)-2-methylbenzenesulfonamide
CID 43436547
(2R)-2-(4-bromophenoxy)propanamide
CID 974910

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-sulfamoylphenoxy)propanamide?
The IUPAC name of 2-(3-methyl-4-sulfamoylphenoxy)propanamide (CID 82915497) is 2-(3-methyl-4-sulfamoylphenoxy)propanamide.
What is the SMILES notation for 2-(3-methyl-4-sulfamoylphenoxy)propanamide?
The canonical SMILES for 2-(3-methyl-4-sulfamoylphenoxy)propanamide is Cc1cc(OC(C)C(N)=O)ccc1S(N)(=O)=O.
What is the InChIKey of 2-(3-methyl-4-sulfamoylphenoxy)propanamide?
The InChIKey is XVZKNSNEHYFCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-6-5-8(16-7(2)10(11)13)3-4-9(6)17(12,14)15/h3-5,7H,1-2H3,(H2,11,13)(H2,12,14,15).
What are the key properties of 2-(3-methyl-4-sulfamoylphenoxy)propanamide?
2-(3-methyl-4-sulfamoylphenoxy)propanamide has a molecular weight of 258.30 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-sulfamoylphenoxy)propanamide is sourced from PubChem (CID 82915497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).