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

C14H15ClN2O2S — CID 61138440

IUPAC3-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)c1sccc1N
InChIInChI=1S/C14H15ClN2O2S/c1-17(14(18)13-12(16)5-8-20-13)6-7-19-11-4-2-3-10(15)9-11/h2-5,8-9H,6-7,16H2,1H3
InChIKeyFOSXVSOEPNVXMC-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.13
Rot. Bonds5

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

3-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide (PubChem CID 61138440) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 3-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
PubChem CID61138440
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name3-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CCOc1cccc(Cl)c1)C(=O)c1sccc1N
InChIInChI=1S/C14H15ClN2O2S/c1-17(14(18)13-12(16)5-8-20-13)6-7-19-11-4-2-3-10(15)9-11/h2-5,8-9H,6-7,16H2,1H3
InChIKeyFOSXVSOEPNVXMC-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

N-[2-(3-chlorophenoxy)ethyl]-3-ethyl-N-methylthiophene-2-carboxamide
CID 55996825
3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 61114488
N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 27446793
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 134041709
2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide
CID 55431451
2,6-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 78819673
1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464035
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 55110390
(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 61165412
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888
2-(aminomethyl)-N-[3-(3-chlorophenoxy)propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 119739739
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 54980615

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide (CID 61138440) is 3-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide is CN(CCOc1cccc(Cl)c1)C(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is FOSXVSOEPNVXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-17(14(18)13-12(16)5-8-20-13)6-7-19-11-4-2-3-10(15)9-11/h2-5,8-9H,6-7,16H2,1H3.
What are the key properties of 3-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide?
3-amino-N-[2-(3-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-(3-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 61138440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).