2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide

C18H15Cl2NO3S2 — CID 129417977

IUPAC2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC[C@](O)(c1ccsc1)c1cccs1
InChIInChI=1S/C18H15Cl2NO3S2/c19-13-3-4-15(14(20)8-13)24-9-17(22)21-11-18(23,12-5-7-25-10-12)16-2-1-6-26-16/h1-8,10,23H,9,11H2,(H,21,22)/t18-/m0/s1
InChIKeyVLLTZKTUGMYWLI-SFHVURJKSA-N
MW428.36 g/mol
LogP4.55
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide

2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide (PubChem CID 129417977) has the molecular formula C18H15Cl2NO3S2 and a molecular weight of 428.36 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
PubChem CID129417977
Molecular FormulaC18H15Cl2NO3S2
Molecular Weight428.36 g/mol
Exact Mass426.99
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NC[C@](O)(c1ccsc1)c1cccs1
InChIInChI=1S/C18H15Cl2NO3S2/c19-13-3-4-15(14(20)8-13)24-9-17(22)21-11-18(23,12-5-7-25-10-12)16-2-1-6-26-16/h1-8,10,23H,9,11H2,(H,21,22)/t18-/m0/s1
InChIKeyVLLTZKTUGMYWLI-SFHVURJKSA-N
XLogP4.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.36
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide
CID 121170151
2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide
CID 124759513
2-(2,4-dichlorophenoxy)-N-[thiophen-2-yl(thiophen-3-yl)methyl]acetamide
CID 121021409
1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea
CID 121170348
N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170286
N'-(3,5-dimethylphenyl)-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170293
2-(2,4-dichlorophenoxy)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 7582593
4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide
CID 121170103
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
CID 124877781
2-(2,4-dichlorophenoxy)-1-thiophen-2-ylethanone
CID 60625907
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 121170284
2-(2,4-dichlorophenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726307

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide (CID 129417977) is 2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide is O=C(COc1ccc(Cl)cc1Cl)NC[C@](O)(c1ccsc1)c1cccs1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide?
The InChIKey is VLLTZKTUGMYWLI-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15Cl2NO3S2/c19-13-3-4-15(14(20)8-13)24-9-17(22)21-11-18(23,12-5-7-25-10-12)16-2-1-6-26-16/h1-8,10,23H,9,11H2,(H,21,22)/t18-/m0/s1.
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide has a molecular weight of 428.36 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide is sourced from PubChem (CID 129417977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).