2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C17H20N2O4S — CID 40613651

IUPAC2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1cccc(OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H20N2O4S/c1-13-3-2-4-15(11-13)23-12-17(20)19-10-9-14-5-7-16(8-6-14)24(18,21)22/h2-8,11H,9-10,12H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyGKMHYKNZGMXIOP-UHFFFAOYSA-N
MW348.42 g/mol
LogP1.38
Rot. Bonds7

About 2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 40613651) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID40613651
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1cccc(OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C17H20N2O4S/c1-13-3-2-4-15(11-13)23-12-17(20)19-10-9-14-5-7-16(8-6-14)24(18,21)22/h2-8,11H,9-10,12H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyGKMHYKNZGMXIOP-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenoxy)-N-[2-(4-methylsulfonylphenyl)ethyl]acetamide
CID 110790654
2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24632921
2-(3-methylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 675979
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910326
3-[2-[[2-(3-methylphenoxy)acetyl]amino]ethyl]benzamide
CID 51108003
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4910874
N'-[(3-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108984696
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
2-(4-chloro-2-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2683015
2-(3-methylphenoxy)-N-(2-phenylethylcarbamothioyl)acetamide
CID 4659062
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 110790987
ethyl N-[4-[2-[[2-(3-chlorophenoxy)acetyl]amino]ethyl]phenyl]sulfonyl-N-methylcarbamate
CID 70623222

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 40613651) is 2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is Cc1cccc(OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is GKMHYKNZGMXIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13-3-2-4-15(11-13)23-12-17(20)19-10-9-14-5-7-16(8-6-14)24(18,21)22/h2-8,11H,9-10,12H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 348.42 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 40613651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).