2-[5-[[2-(3,5-dichlorophenoxy)ethyl-methylsulfonylamino]methyl]thiophen-2-yl]acetic acid

C16H17Cl2NO5S2 — CID 22246786

IUPAC2-[5-[[2-(3,5-dichlorophenoxy)ethyl-methylsulfonylamino]methyl]thiophen-2-yl]acetic acid
SMILESCS(=O)(=O)N(CCOc1cc(Cl)cc(Cl)c1)Cc1ccc(CC(=O)O)s1
InChIInChI=1S/C16H17Cl2NO5S2/c1-26(22,23)19(10-15-3-2-14(25-15)9-16(20)21)4-5-24-13-7-11(17)6-12(18)8-13/h2-3,6-8H,4-5,9-10H2,1H3,(H,20,21)
InChIKeyJWTLOAVDJTYMLZ-UHFFFAOYSA-N
MW438.35 g/mol
LogP3.52
Rot. Bonds9

About 2-[5-[[2-(3,5-dichlorophenoxy)ethyl-methylsulfonylamino]methyl]thiophen-2-yl]acetic acid

2-[5-[[2-(3,5-dichlorophenoxy)ethyl-methylsulfonylamino]methyl]thiophen-2-yl]acetic acid (PubChem CID 22246786) has the molecular formula C16H17Cl2NO5S2 and a molecular weight of 438.35 g/mol. Its IUPAC name is 2-[5-[[2-(3,5-dichlorophenoxy)ethyl-methylsulfonylamino]methyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[2-(3,5-dichlorophenoxy)ethyl-methylsulfonylamino]methyl]thiophen-2-yl]acetic acid
PubChem CID22246786
Molecular FormulaC16H17Cl2NO5S2
Molecular Weight438.35 g/mol
Exact Mass436.99
IUPAC Name2-[5-[[2-(3,5-dichlorophenoxy)ethyl-methylsulfonylamino]methyl]thiophen-2-yl]acetic acid
SMILESCS(=O)(=O)N(CCOc1cc(Cl)cc(Cl)c1)Cc1ccc(CC(=O)O)s1
InChIInChI=1S/C16H17Cl2NO5S2/c1-26(22,23)19(10-15-3-2-14(25-15)9-16(20)21)4-5-24-13-7-11(17)6-12(18)8-13/h2-3,6-8H,4-5,9-10H2,1H3,(H,20,21)
InChIKeyJWTLOAVDJTYMLZ-UHFFFAOYSA-N
XLogP3.52
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[[2-(3,5-dichlorophenoxy)ethyl-methylsulfonylamino]methyl]thiophen-2-yl]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-(3,5-dichlorophenoxy)ethyl-methylsulfonylamino]methyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[[2-(3,5-dichlorophenoxy)ethyl-methylsulfonylamino]methyl]thiophen-2-yl]acetic acid (CID 22246786) is 2-[5-[[2-(3,5-dichlorophenoxy)ethyl-methylsulfonylamino]methyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[[2-(3,5-dichlorophenoxy)ethyl-methylsulfonylamino]methyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[[2-(3,5-dichlorophenoxy)ethyl-methylsulfonylamino]methyl]thiophen-2-yl]acetic acid is CS(=O)(=O)N(CCOc1cc(Cl)cc(Cl)c1)Cc1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[[2-(3,5-dichlorophenoxy)ethyl-methylsulfonylamino]methyl]thiophen-2-yl]acetic acid?
The InChIKey is JWTLOAVDJTYMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO5S2/c1-26(22,23)19(10-15-3-2-14(25-15)9-16(20)21)4-5-24-13-7-11(17)6-12(18)8-13/h2-3,6-8H,4-5,9-10H2,1H3,(H,20,21).
What are the key properties of 2-[5-[[2-(3,5-dichlorophenoxy)ethyl-methylsulfonylamino]methyl]thiophen-2-yl]acetic acid?
2-[5-[[2-(3,5-dichlorophenoxy)ethyl-methylsulfonylamino]methyl]thiophen-2-yl]acetic acid has a molecular weight of 438.35 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-(3,5-dichlorophenoxy)ethyl-methylsulfonylamino]methyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 22246786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).