2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C17H20N2O4S — CID 3875350

IUPAC2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H20N2O4S/c1-13(23-15-5-3-2-4-6-15)17(20)19-12-11-14-7-9-16(10-8-14)24(18,21)22/h2-10,13H,11-12H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyKRKDBYVQZBHGJN-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.46
Rot. Bonds7

About 2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 3875350) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID3875350
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H20N2O4S/c1-13(23-15-5-3-2-4-6-15)17(20)19-12-11-14-7-9-16(10-8-14)24(18,21)22/h2-10,13H,11-12H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyKRKDBYVQZBHGJN-UHFFFAOYSA-N
XLogP1.46
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] (2S)-2-benzamidopropanoate
CID 55937101
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
2-(4-methylphenoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 54783367
4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4794711
(2S)-2-iodo-3-[4-[(2R)-1-oxo-1-[2-(4-phenoxyphenyl)ethylamino]propan-2-yl]oxyphenyl]propanoyl iodide
CID 142845108
(2S)-2-amino-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 22690659
2-[4-[1-oxo-1-[2-(4-phenoxyphenyl)ethylamino]propan-2-yl]oxyphenyl]propanoic acid
CID 142868325
2-(3-methoxyphenoxy)-N-(2-phenylethyl)propanamide
CID 19203903
1-(4-propan-2-yloxyphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 51116713
1-(3-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 51131161
[1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 3-(2-amino-2-oxoethoxy)benzoate
CID 55568329
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of 2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 3875350) is 2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for 2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for 2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is CC(Oc1ccccc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is KRKDBYVQZBHGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13(23-15-5-3-2-4-6-15)17(20)19-12-11-14-7-9-16(10-8-14)24(18,21)22/h2-10,13H,11-12H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 348.42 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 3875350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).