3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide

C14H15ClN2O2S — CID 61114488

IUPAC3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1sccc1N
InChIInChI=1S/C14H15ClN2O2S/c1-17(14(18)13-12(16)6-9-20-13)7-8-19-11-4-2-10(15)3-5-11/h2-6,9H,7-8,16H2,1H3
InChIKeyAIJSJUMWXMRZEV-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.13
Rot. Bonds5

About 3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide

3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide (PubChem CID 61114488) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
PubChem CID61114488
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)c1sccc1N
InChIInChI=1S/C14H15ClN2O2S/c1-17(14(18)13-12(16)6-9-20-13)7-8-19-11-4-2-10(15)3-5-11/h2-6,9H,7-8,16H2,1H3
InChIKeyAIJSJUMWXMRZEV-UHFFFAOYSA-N
XLogP3.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 61138440
3-amino-N-methyl-N-propylthiophene-2-carboxamide
CID 61095360
3-amino-N-[3-(dimethylamino)propyl]-N-methylthiophene-2-carboxamide
CID 63694246
2-[(4-chlorophenoxy)methyl]-N,4-dimethyl-N-(2-phenoxyethyl)-1,3-thiazole-5-carboxamide
CID 46586534
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
N-[2-(4-chlorophenoxy)ethyl]-4-ethyl-N-methylbenzamide
CID 112792734
(2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide
CID 103929089
N-[2-(3-chlorophenoxy)ethyl]-3-ethyl-N-methylthiophene-2-carboxamide
CID 55996825
4-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-nitrobenzamide
CID 27795603
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
2-amino-N-[2-(4-chlorophenoxy)ethyl]-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79793142
5-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyrazine-2-carboxamide
CID 103803146

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide (CID 61114488) is 3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide is CN(CCOc1ccc(Cl)cc1)C(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is AIJSJUMWXMRZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-17(14(18)13-12(16)6-9-20-13)7-8-19-11-4-2-10(15)3-5-11/h2-6,9H,7-8,16H2,1H3.
What are the key properties of 3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide?
3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 310.81 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 61114488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).