N-[2-(benzylsulfamoyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

C21H28N2O6S — CID 55726601

IUPACN-[2-(benzylsulfamoyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCCS(=O)(=O)NCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C21H28N2O6S/c1-27-18-13-17(14-19(28-2)21(18)29-3)9-10-20(24)22-11-12-30(25,26)23-15-16-7-5-4-6-8-16/h4-8,13-14,23H,9-12,15H2,1-3H3,(H,22,24)
InChIKeyRORJGLCQHNDKTD-UHFFFAOYSA-N
MW436.53 g/mol
LogP1.88
Rot. Bonds12

About N-[2-(benzylsulfamoyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

N-[2-(benzylsulfamoyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 55726601) has the molecular formula C21H28N2O6S and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[2-(benzylsulfamoyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(benzylsulfamoyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID55726601
Molecular FormulaC21H28N2O6S
Molecular Weight436.53 g/mol
Exact Mass436.17
IUPAC NameN-[2-(benzylsulfamoyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)NCCS(=O)(=O)NCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C21H28N2O6S/c1-27-18-13-17(14-19(28-2)21(18)29-3)9-10-20(24)22-11-12-30(25,26)23-15-16-7-5-4-6-8-16/h4-8,13-14,23H,9-12,15H2,1-3H3,(H,22,24)
InChIKeyRORJGLCQHNDKTD-UHFFFAOYSA-N
XLogP1.88
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108538155
N-[(3-phenylmethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 55843576
N-[(2-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2679607
2-amino-N-[2-(benzylsulfamoyl)ethyl]acetamide
CID 119289553
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
N-[2-(diethylamino)-3-phenylpropyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 43067524
N-[2-(benzylsulfamoyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 55726790
N-[3-(methylamino)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119430660
N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30803663
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
N'-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]-N-(2-phenylethyl)hexanediamide
CID 19838083
N-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 20968994

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide (CID 55726601) is N-[2-(benzylsulfamoyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(benzylsulfamoyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[2-(benzylsulfamoyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)NCCS(=O)(=O)NCc2ccccc2)cc(OC)c1OC.
What is the InChIKey of N-[2-(benzylsulfamoyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is RORJGLCQHNDKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6S/c1-27-18-13-17(14-19(28-2)21(18)29-3)9-10-20(24)22-11-12-30(25,26)23-15-16-7-5-4-6-8-16/h4-8,13-14,23H,9-12,15H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(benzylsulfamoyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[2-(benzylsulfamoyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 436.53 g/mol, XLogP of 1.88, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylsulfamoyl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 55726601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).