(2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide

C17H20N2O4S — CID 9297225

IUPAC(2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
SMILESCc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H20N2O4S/c1-11-5-4-6-12(2)16(11)23-13(3)17(20)19-14-7-9-15(10-8-14)24(18,21)22/h4-10,13H,1-3H3,(H,19,20)(H2,18,21,22)/t13-/m1/s1
InChIKeyYJZDFHMMZPLNOO-CYBMUJFWSA-N
MW348.42 g/mol
LogP2.36
Rot. Bonds5

About (2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide

(2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 9297225) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is (2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
PubChem CID9297225
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name(2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
SMILESCc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H20N2O4S/c1-11-5-4-6-12(2)16(11)23-13(3)17(20)19-14-7-9-15(10-8-14)24(18,21)22/h4-10,13H,1-3H3,(H,19,20)(H2,18,21,22)/t13-/m1/s1
InChIKeyYJZDFHMMZPLNOO-CYBMUJFWSA-N
XLogP2.36
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2,6-dimethylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9297404
2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2937968
(2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 7371830
(2R)-2-(2,6-dimethylphenoxy)-N-(4-nitrophenyl)propanamide
CID 9297382
(2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 890882
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 19191667
(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1008579
N-[4-[2-(2,6-dimethylphenoxy)propanoylamino]phenyl]butanamide
CID 17202534
(2R)-2-(2-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2168216
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1294665
2-(2,6-dimethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 4958565
propyl 4-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzoate
CID 9297307

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide (CID 9297225) is (2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide is Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of (2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is YJZDFHMMZPLNOO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-11-5-4-6-12(2)16(11)23-13(3)17(20)19-14-7-9-15(10-8-14)24(18,21)22/h4-10,13H,1-3H3,(H,19,20)(H2,18,21,22)/t13-/m1/s1.
What are the key properties of (2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
(2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 348.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 9297225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).