N-(benzenesulfonyl)-3-(2-ethoxyphenyl)propanamide

C17H19NO4S — CID 87011276

IUPACN-(benzenesulfonyl)-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1CCC(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO4S/c1-2-22-16-11-7-6-8-14(16)12-13-17(19)18-23(20,21)15-9-4-3-5-10-15/h3-11H,2,12-13H2,1H3,(H,18,19)
InChIKeyGCZMYJIDTBHHEC-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.52
Rot. Bonds7

About N-(benzenesulfonyl)-3-(2-ethoxyphenyl)propanamide

N-(benzenesulfonyl)-3-(2-ethoxyphenyl)propanamide (PubChem CID 87011276) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-3-(2-ethoxyphenyl)propanamide
PubChem CID87011276
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-(benzenesulfonyl)-3-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1CCC(=O)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H19NO4S/c1-2-22-16-11-7-6-8-14(16)12-13-17(19)18-23(20,21)15-9-4-3-5-10-15/h3-11H,2,12-13H2,1H3,(H,18,19)
InChIKeyGCZMYJIDTBHHEC-UHFFFAOYSA-N
XLogP2.52
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydronaphthalen-2-ylsulfonyl)-3-(2-ethoxyphenyl)propanamide
CID 86868872
3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647
2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid
CID 43171627
N,N'-bis(benzenesulfonyl)butanediamide
CID 12893964
3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877597
methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate
CID 43406380
3-(2-ethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43393251
3-(2-ethoxyphenyl)-N-prop-2-enylpropanamide
CID 60659508
3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83029751
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290
N-(1-aminopropan-2-yl)-3-(2-ethoxyphenyl)propanamide
CID 110833199
3-(2-ethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
CID 31725859

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3-(2-ethoxyphenyl)propanamide?
The IUPAC name of N-(benzenesulfonyl)-3-(2-ethoxyphenyl)propanamide (CID 87011276) is N-(benzenesulfonyl)-3-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for N-(benzenesulfonyl)-3-(2-ethoxyphenyl)propanamide?
The canonical SMILES for N-(benzenesulfonyl)-3-(2-ethoxyphenyl)propanamide is CCOc1ccccc1CCC(=O)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-3-(2-ethoxyphenyl)propanamide?
The InChIKey is GCZMYJIDTBHHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-2-22-16-11-7-6-8-14(16)12-13-17(19)18-23(20,21)15-9-4-3-5-10-15/h3-11H,2,12-13H2,1H3,(H,18,19).
What are the key properties of N-(benzenesulfonyl)-3-(2-ethoxyphenyl)propanamide?
N-(benzenesulfonyl)-3-(2-ethoxyphenyl)propanamide has a molecular weight of 333.41 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-3-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 87011276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).