N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-phenoxypropanamide

C21H28N2O4S — CID 55339007

IUPACN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-phenoxypropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)C(C)Oc2ccccc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-23(6-2)28(25,26)20-14-12-18(13-15-20)16(3)22-21(24)17(4)27-19-10-8-7-9-11-19/h7-17H,5-6H2,1-4H3,(H,22,24)
InChIKeyIAAFCDKANVDWOM-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.36
Rot. Bonds9

About N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-phenoxypropanamide

N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-phenoxypropanamide (PubChem CID 55339007) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-phenoxypropanamide
PubChem CID55339007
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-phenoxypropanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)C(C)Oc2ccccc2)cc1
InChIInChI=1S/C21H28N2O4S/c1-5-23(6-2)28(25,26)20-14-12-18(13-15-20)16(3)22-21(24)17(4)27-19-10-8-7-9-11-19/h7-17H,5-6H2,1-4H3,(H,22,24)
InChIKeyIAAFCDKANVDWOM-UHFFFAOYSA-N
XLogP3.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 112765400
(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide
CID 119269826
(2R)-2-amino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]propanamide;hydrochloride
CID 119269825
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-phenoxypropanamide
CID 7760061
N-[3-(diethylsulfamoyl)phenyl]-2-phenoxypropanamide
CID 18170408
2-anilino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]acetamide
CID 119686819
N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide
CID 132651097
N-[(2R)-1-[[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 41083383
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-methoxybenzamide
CID 51151516
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(diethylsulfamoyl)benzoate
CID 2557690
1-[1-(2-chlorophenyl)ethyl]-3-[1-[4-(diethylsulfamoyl)phenyl]ethyl]urea
CID 55473706

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-phenoxypropanamide?
The IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-phenoxypropanamide (CID 55339007) is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-phenoxypropanamide?
The canonical SMILES for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-phenoxypropanamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)C(C)Oc2ccccc2)cc1.
What is the InChIKey of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-phenoxypropanamide?
The InChIKey is IAAFCDKANVDWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-5-23(6-2)28(25,26)20-14-12-18(13-15-20)16(3)22-21(24)17(4)27-19-10-8-7-9-11-19/h7-17H,5-6H2,1-4H3,(H,22,24).
What are the key properties of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-phenoxypropanamide?
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-phenoxypropanamide has a molecular weight of 404.53 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-phenoxypropanamide is sourced from PubChem (CID 55339007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).