2-(4-chlorophenoxy)-2-methyl-N-[(4-sulfamoylphenyl)methyl]propanamide

C17H19ClN2O4S — CID 1306422

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-17(2,24-14-7-5-13(18)6-8-14)16(21)20-11-12-3-9-15(10-4-12)25(19,22)23/h3-10H,11H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyIYMLYTGOIQRSNX-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.46
Rot. Bonds6

About 2-(4-chlorophenoxy)-2-methyl-N-[(4-sulfamoylphenyl)methyl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 1306422) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID1306422
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-17(2,24-14-7-5-13(18)6-8-14)16(21)20-11-12-3-9-15(10-4-12)25(19,22)23/h3-10H,11H2,1-2H3,(H,20,21)(H2,19,22,23)
InChIKeyIYMLYTGOIQRSNX-UHFFFAOYSA-N
XLogP2.46
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 1306422) is 2-(4-chlorophenoxy)-2-methyl-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[(4-sulfamoylphenyl)methyl]propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is IYMLYTGOIQRSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-17(2,24-14-7-5-13(18)6-8-14)16(21)20-11-12-3-9-15(10-4-12)25(19,22)23/h3-10H,11H2,1-2H3,(H,20,21)(H2,19,22,23).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[(4-sulfamoylphenyl)methyl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 382.87 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 1306422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).