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

C17H19ClN2O4S — CID 19191667

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(C)c1Cl
InChIInChI=1S/C17H19ClN2O4S/c1-10-8-14(9-11(2)16(10)18)24-12(3)17(21)20-13-4-6-15(7-5-13)25(19,22)23/h4-9,12H,1-3H3,(H,20,21)(H2,19,22,23)
InChIKeyFYTNAXHHAAFHLI-UHFFFAOYSA-N
MW382.87 g/mol
LogP3.01
Rot. Bonds5

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

2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 19191667) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
PubChem CID19191667
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(C)c1Cl
InChIInChI=1S/C17H19ClN2O4S/c1-10-8-14(9-11(2)16(10)18)24-12(3)17(21)20-13-4-6-15(7-5-13)25(19,22)23/h4-9,12H,1-3H3,(H,20,21)(H2,19,22,23)
InChIKeyFYTNAXHHAAFHLI-UHFFFAOYSA-N
XLogP3.01
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2937968
(2S)-2-(3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 890882
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-chlorophenyl)propanamide
CID 19191633
(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1008579
(2S)-2-(4-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 7371830
(2R)-2-(4-chloro-2-methylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1294665
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)propanamide
CID 16526072
methyl 4-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]benzoate
CID 19191615
(2R)-2-(2,6-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 9297225
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 734849
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]propanamide
CID 21367757
(2R)-2-(2-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2168216

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide (CID 19191667) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide is Cc1cc(OC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is FYTNAXHHAAFHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-10-8-14(9-11(2)16(10)18)24-12(3)17(21)20-13-4-6-15(7-5-13)25(19,22)23/h4-9,12H,1-3H3,(H,20,21)(H2,19,22,23).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 382.87 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 19191667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).