2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide

C18H22N2O4S — CID 34662548

IUPAC2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H22N2O4S/c1-12-4-5-13(2)17(10-12)24-11-18(21)20-14(3)15-6-8-16(9-7-15)25(19,22)23/h4-10,14H,11H2,1-3H3,(H,20,21)(H2,19,22,23)/t14-/m0/s1
InChIKeyTWSOJYIYVHGWTL-AWEZNQCLSA-N
MW362.45 g/mol
LogP2.21
Rot. Bonds6

About 2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide

2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 34662548) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID34662548
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1ccc(C)c(OCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H22N2O4S/c1-12-4-5-13(2)17(10-12)24-11-18(21)20-14(3)15-6-8-16(9-7-15)25(19,22)23/h4-10,14H,11H2,1-3H3,(H,20,21)(H2,19,22,23)/t14-/m0/s1
InChIKeyTWSOJYIYVHGWTL-AWEZNQCLSA-N
XLogP2.21
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51146608
2-(2,5-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096229
3-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 18160079
[2-oxo-2-[[(1R)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] 2-(2,4-dimethylphenoxy)acetate
CID 9335831
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 8795085
2-(2-chloro-5-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096240
2-(2,5-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327488
2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 94012505
2-(2-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096211
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 55338862
[2-oxo-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]ethyl] (2R)-2-(3-methylphenoxy)propanoate
CID 8846555
2-(2,5-dimethylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 7993181

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide (CID 34662548) is 2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide is Cc1ccc(C)c(OCC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is TWSOJYIYVHGWTL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-12-4-5-13(2)17(10-12)24-11-18(21)20-14(3)15-6-8-16(9-7-15)25(19,22)23/h4-10,14H,11H2,1-3H3,(H,20,21)(H2,19,22,23)/t14-/m0/s1.
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide?
2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 34662548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).