N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(2-methylphenoxy)propanamide

C22H30N2O4S — CID 55338890

IUPACN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(2-methylphenoxy)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)CCOc2ccccc2C)cc1
InChIInChI=1S/C22H30N2O4S/c1-5-24(6-2)29(26,27)20-13-11-19(12-14-20)18(4)23-22(25)15-16-28-21-10-8-7-9-17(21)3/h7-14,18H,5-6,15-16H2,1-4H3,(H,23,25)
InChIKeyFDFLYKBYIVYTCW-UHFFFAOYSA-N
MW418.56 g/mol
LogP3.67
Rot. Bonds10

About N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(2-methylphenoxy)propanamide

N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(2-methylphenoxy)propanamide (PubChem CID 55338890) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(2-methylphenoxy)propanamide
PubChem CID55338890
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(2-methylphenoxy)propanamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)CCOc2ccccc2C)cc1
InChIInChI=1S/C22H30N2O4S/c1-5-24(6-2)29(26,27)20-13-11-19(12-14-20)18(4)23-22(25)15-16-28-21-10-8-7-9-17(21)3/h7-14,18H,5-6,15-16H2,1-4H3,(H,23,25)
InChIKeyFDFLYKBYIVYTCW-UHFFFAOYSA-N
XLogP3.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9218369
3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856001
2-anilino-N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]acetamide
CID 119686819
2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096211
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-4-(4-methylphenyl)butanamide
CID 55773914
N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 8802080
3-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 18160079
tert-butyl N-[3-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-3-oxopropyl]carbamate
CID 9223924
methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate
CID 60638161
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 55338862
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 28557418
N-[1-(4-chlorophenyl)ethyl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 43873894

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(2-methylphenoxy)propanamide?
The IUPAC name of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(2-methylphenoxy)propanamide (CID 55338890) is N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(2-methylphenoxy)propanamide.
What is the SMILES notation for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(2-methylphenoxy)propanamide?
The canonical SMILES for N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(2-methylphenoxy)propanamide is CCN(CC)S(=O)(=O)c1ccc(C(C)NC(=O)CCOc2ccccc2C)cc1.
What is the InChIKey of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(2-methylphenoxy)propanamide?
The InChIKey is FDFLYKBYIVYTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-5-24(6-2)29(26,27)20-13-11-19(12-14-20)18(4)23-22(25)15-16-28-21-10-8-7-9-17(21)3/h7-14,18H,5-6,15-16H2,1-4H3,(H,23,25).
What are the key properties of N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(2-methylphenoxy)propanamide?
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(2-methylphenoxy)propanamide has a molecular weight of 418.56 g/mol, XLogP of 3.67, 10 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]-3-(2-methylphenoxy)propanamide is sourced from PubChem (CID 55338890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).