2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide

C17H20N2O4S — CID 2937968

IUPAC2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C17H20N2O4S/c1-11-4-7-15(10-12(11)2)23-13(3)17(20)19-14-5-8-16(9-6-14)24(18,21)22/h4-10,13H,1-3H3,(H,19,20)(H2,18,21,22)
InChIKeyZUYSKVFVMBGTHZ-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.36
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide

2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 2937968) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
PubChem CID2937968
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
SMILESCc1ccc(OC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C
InChIInChI=1S/C17H20N2O4S/c1-11-4-7-15(10-12(11)2)23-13(3)17(20)19-14-5-8-16(9-6-14)24(18,21)22/h4-10,13H,1-3H3,(H,19,20)(H2,18,21,22)
InChIKeyZUYSKVFVMBGTHZ-UHFFFAOYSA-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

2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 19191667
(2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 7371830
(2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 890882
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(3,4-dimethylphenoxy)acetate
CID 8922985
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277
(2R)-N-[4-(diethylsulfamoyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide
CID 40768898
(2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 9297225
N-(4-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266489
N-(4-tert-butylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266599
2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 4951220
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)propanamide
CID 16526072
(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1008579

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide (CID 2937968) is 2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide is Cc1ccc(OC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is ZUYSKVFVMBGTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-11-4-7-15(10-12(11)2)23-13(3)17(20)19-14-5-8-16(9-6-14)24(18,21)22/h4-10,13H,1-3H3,(H,19,20)(H2,18,21,22).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
2-(3,4-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 2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 2937968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).