2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate

C16H19NO5S2 — CID 55320518

IUPAC2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate
SMILESCc1cccc(OCCOC(=O)CCNS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C16H19NO5S2/c1-13-4-2-5-14(12-13)21-9-10-22-15(18)7-8-17-24(19,20)16-6-3-11-23-16/h2-6,11-12,17H,7-10H2,1H3
InChIKeyVEZQTQFORANGOS-UHFFFAOYSA-N
MW369.46 g/mol
LogP2.35
Rot. Bonds9

About 2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate

2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate (PubChem CID 55320518) has the molecular formula C16H19NO5S2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate.

Molecular Properties

Compound Name2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate
PubChem CID55320518
Molecular FormulaC16H19NO5S2
Molecular Weight369.46 g/mol
Exact Mass369.07
IUPAC Name2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate
SMILESCc1cccc(OCCOC(=O)CCNS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C16H19NO5S2/c1-13-4-2-5-14(12-13)21-9-10-22-15(18)7-8-17-24(19,20)16-6-3-11-23-16/h2-6,11-12,17H,7-10H2,1H3
InChIKeyVEZQTQFORANGOS-UHFFFAOYSA-N
XLogP2.35
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate 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

N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 2998241
2-(3-methylphenoxy)ethyl 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234461
2-(3-methylphenoxy)ethyl butanoate
CID 13247559
N-(3-phenoxypropyl)thiophene-2-sulfonamide
CID 47122008
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7836941
3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide
CID 108573563
methyl 6-(thiophen-2-ylsulfonylamino)hexanoate
CID 43404961
N-[3-(3-methylphenoxy)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30853178
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 30197174
ethyl 3-[(3-methylphenyl)sulfonylamino]propanoate
CID 60643076
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7836920
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 7837000

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate?
The IUPAC name of 2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate (CID 55320518) is 2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate.
What is the SMILES notation for 2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate?
The canonical SMILES for 2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate is Cc1cccc(OCCOC(=O)CCNS(=O)(=O)c2cccs2)c1.
What is the InChIKey of 2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate?
The InChIKey is VEZQTQFORANGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5S2/c1-13-4-2-5-14(12-13)21-9-10-22-15(18)7-8-17-24(19,20)16-6-3-11-23-16/h2-6,11-12,17H,7-10H2,1H3.
What are the key properties of 2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate?
2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate has a molecular weight of 369.46 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate is sourced from PubChem (CID 55320518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).