N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-fluorophenoxy)acetamide

C15H15ClFNO3S — CID 121180122

IUPACN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-fluorophenoxy)acetamide
SMILESCOC(CNC(=O)COc1ccc(F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C15H15ClFNO3S/c1-20-12(13-6-7-14(16)22-13)8-18-15(19)9-21-11-4-2-10(17)3-5-11/h2-7,12H,8-9H2,1H3,(H,18,19)
InChIKeyHQSKFCXKOYEHLL-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.42
Rot. Bonds7

About N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-fluorophenoxy)acetamide

N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-fluorophenoxy)acetamide (PubChem CID 121180122) has the molecular formula C15H15ClFNO3S and a molecular weight of 343.81 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-fluorophenoxy)acetamide
PubChem CID121180122
Molecular FormulaC15H15ClFNO3S
Molecular Weight343.81 g/mol
Exact Mass343.04
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-fluorophenoxy)acetamide
SMILESCOC(CNC(=O)COc1ccc(F)cc1)c1ccc(Cl)s1
InChIInChI=1S/C15H15ClFNO3S/c1-20-12(13-6-7-14(16)22-13)8-18-15(19)9-21-11-4-2-10(17)3-5-11/h2-7,12H,8-9H2,1H3,(H,18,19)
InChIKeyHQSKFCXKOYEHLL-UHFFFAOYSA-N
XLogP3.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 121180159
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(4-fluorophenyl)urea
CID 121180386
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]butanamide
CID 121180066
2-(4-fluorophenoxy)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]acetamide
CID 90623316
N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 121180341
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 90598410
N'-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-N-propyloxamide
CID 121180303
N-[2-(3-fluorophenyl)-2-methoxyethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 90622980
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 90598353
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-cyclohexylurea
CID 121180382
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 90598381
2-(4-fluorophenoxy)-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 110279770

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-fluorophenoxy)acetamide (CID 121180122) is N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-fluorophenoxy)acetamide is COC(CNC(=O)COc1ccc(F)cc1)c1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is HQSKFCXKOYEHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO3S/c1-20-12(13-6-7-14(16)22-13)8-18-15(19)9-21-11-4-2-10(17)3-5-11/h2-7,12H,8-9H2,1H3,(H,18,19).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-fluorophenoxy)acetamide?
N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 343.81 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 121180122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).