2-(3-methylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide

C21H28N2O4S — CID 24563425

IUPAC2-(3-methylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
SMILESCc1cccc(OC(C)C(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)c1
InChIInChI=1S/C21H28N2O4S/c1-15(2)23-28(25,26)14-19-10-8-18(9-11-19)13-22-21(24)17(4)27-20-7-5-6-16(3)12-20/h5-12,15,17,23H,13-14H2,1-4H3,(H,22,24)
InChIKeyIEATWATWXWDLCN-UHFFFAOYSA-N
MW404.53 g/mol
LogP2.91
Rot. Bonds9

About 2-(3-methylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide

2-(3-methylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide (PubChem CID 24563425) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
PubChem CID24563425
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name2-(3-methylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
SMILESCc1cccc(OC(C)C(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)c1
InChIInChI=1S/C21H28N2O4S/c1-15(2)23-28(25,26)14-19-10-8-18(9-11-19)13-22-21(24)17(4)27-20-7-5-6-16(3)12-20/h5-12,15,17,23H,13-14H2,1-4H3,(H,22,24)
InChIKeyIEATWATWXWDLCN-UHFFFAOYSA-N
XLogP2.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl-[[4-[[[(2S)-2-(3-methylphenoxy)propanoyl]amino]methyl]phenyl]methyl]azanium
CID 9194529
[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737930
2-(3-methylphenoxy)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 24554461
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 110909100
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133218956
2-(2-ethoxyethoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 55923975
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
2-(2-bromo-4-methylphenoxy)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 46492565

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide (CID 24563425) is 2-(3-methylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide is Cc1cccc(OC(C)C(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
The InChIKey is IEATWATWXWDLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-15(2)23-28(25,26)14-19-10-8-18(9-11-19)13-22-21(24)17(4)27-20-7-5-6-16(3)12-20/h5-12,15,17,23H,13-14H2,1-4H3,(H,22,24).
What are the key properties of 2-(3-methylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide?
2-(3-methylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide has a molecular weight of 404.53 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 24563425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).