N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(3-methoxyphenoxy)acetamide

C13H11Cl2NO5S2 — CID 75404006

IUPACN-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)NS(=O)(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C13H11Cl2NO5S2/c1-20-8-3-2-4-9(5-8)21-7-12(17)16-23(18,19)10-6-11(14)22-13(10)15/h2-6H,7H2,1H3,(H,16,17)
InChIKeyOZKFSLDAFJDUFJ-UHFFFAOYSA-N
MW396.27 g/mol
LogP2.95
Rot. Bonds6

About N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(3-methoxyphenoxy)acetamide

N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(3-methoxyphenoxy)acetamide (PubChem CID 75404006) has the molecular formula C13H11Cl2NO5S2 and a molecular weight of 396.27 g/mol. Its IUPAC name is N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(3-methoxyphenoxy)acetamide
PubChem CID75404006
Molecular FormulaC13H11Cl2NO5S2
Molecular Weight396.27 g/mol
Exact Mass394.95
IUPAC NameN-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)NS(=O)(=O)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C13H11Cl2NO5S2/c1-20-8-3-2-4-9(5-8)21-7-12(17)16-23(18,19)10-6-11(14)22-13(10)15/h2-6H,7H2,1H3,(H,16,17)
InChIKeyOZKFSLDAFJDUFJ-UHFFFAOYSA-N
XLogP2.95
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dichloro-N-[2-(3-methoxyphenoxy)ethyl]thiophene-3-sulfonamide
CID 34111661
2,5-dichloro-N-[(2,4-dimethoxyphenyl)methyl]thiophene-3-sulfonamide
CID 5157003
2-(3-methoxyphenoxy)-N-propan-2-ylacetamide
CID 4149029
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
N-(5-chloro-2-fluorophenyl)-2-(3-methoxyphenoxy)acetamide
CID 112779285
2-(3-methoxyphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 19204089
1-(2,5-dichlorothiophen-3-yl)-2-(3-methylsulfonylphenoxy)ethanone
CID 43612904
N-(4-bromophenyl)sulfonyl-2-(3-methylphenoxy)acetamide
CID 1034415
2-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 71417144
2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
(2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7722413
methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
CID 82018109

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(3-methoxyphenoxy)acetamide (CID 75404006) is N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)NS(=O)(=O)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(3-methoxyphenoxy)acetamide?
The InChIKey is OZKFSLDAFJDUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO5S2/c1-20-8-3-2-4-9(5-8)21-7-12(17)16-23(18,19)10-6-11(14)22-13(10)15/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(3-methoxyphenoxy)acetamide?
N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(3-methoxyphenoxy)acetamide has a molecular weight of 396.27 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 75404006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).