(2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide

C17H20N2O4S — CID 890882

IUPAC(2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
SMILESCc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H20N2O4S/c1-11-8-12(2)10-15(9-11)23-13(3)17(20)19-14-4-6-16(7-5-14)24(18,21)22/h4-10,13H,1-3H3,(H,19,20)(H2,18,21,22)/t13-/m0/s1
InChIKeyNYCGDAHGHVRJCW-ZDUSSCGKSA-N
MW348.42 g/mol
LogP2.36
Rot. Bonds5

About (2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide

(2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 890882) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
PubChem CID890882
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name(2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
SMILESCc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H20N2O4S/c1-11-8-12(2)10-15(9-11)23-13(3)17(20)19-14-4-6-16(7-5-14)24(18,21)22/h4-10,13H,1-3H3,(H,19,20)(H2,18,21,22)/t13-/m0/s1
InChIKeyNYCGDAHGHVRJCW-ZDUSSCGKSA-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

(2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 7371830
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 19191667
2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2937968
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)propanamide
CID 16526072
(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1008579
(2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide
CID 9173132
2-(3,5-dimethylphenoxy)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 17106280
(2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 9297225
(2R)-2-(3,5-dimethylphenoxy)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1305241
2-(4-nitrophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 4951220
(2R)-2-(3,5-dimethylphenoxy)-N-(4-ethylphenyl)propanamide
CID 40746967
2-(3,5-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide
CID 42912015

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide (CID 890882) is (2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide is Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of (2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is NYCGDAHGHVRJCW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-11-8-12(2)10-15(9-11)23-13(3)17(20)19-14-4-6-16(7-5-14)24(18,21)22/h4-10,13H,1-3H3,(H,19,20)(H2,18,21,22)/t13-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
(2S)-2-(3,5-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 (2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 890882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).