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

C16H18ClNO2S — CID 55996825

IUPACN-[2-(3-chlorophenoxy)ethyl]-3-ethyl-N-methylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)N(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO2S/c1-3-12-7-10-21-15(12)16(19)18(2)8-9-20-14-6-4-5-13(17)11-14/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyXKZUCQMWSLDADT-UHFFFAOYSA-N
MW323.85 g/mol
LogP4.11
Rot. Bonds6

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

N-[2-(3-chlorophenoxy)ethyl]-3-ethyl-N-methylthiophene-2-carboxamide (PubChem CID 55996825) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-3-ethyl-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-3-ethyl-N-methylthiophene-2-carboxamide
PubChem CID55996825
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-3-ethyl-N-methylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)N(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO2S/c1-3-12-7-10-21-15(12)16(19)18(2)8-9-20-14-6-4-5-13(17)11-14/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyXKZUCQMWSLDADT-UHFFFAOYSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 61138440
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
N-[2-(3-chlorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 60938135
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888
N-[2-(3-chlorophenoxy)ethyl]-2,3-dimethoxy-N-methylbenzamide
CID 31643858
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515
3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 61114488

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3-ethyl-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-3-ethyl-N-methylthiophene-2-carboxamide (CID 55996825) is N-[2-(3-chlorophenoxy)ethyl]-3-ethyl-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-3-ethyl-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-3-ethyl-N-methylthiophene-2-carboxamide is CCc1ccsc1C(=O)N(C)CCOc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-3-ethyl-N-methylthiophene-2-carboxamide?
The InChIKey is XKZUCQMWSLDADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-3-12-7-10-21-15(12)16(19)18(2)8-9-20-14-6-4-5-13(17)11-14/h4-7,10-11H,3,8-9H2,1-2H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-3-ethyl-N-methylthiophene-2-carboxamide?
N-[2-(3-chlorophenoxy)ethyl]-3-ethyl-N-methylthiophene-2-carboxamide has a molecular weight of 323.85 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-3-ethyl-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 55996825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).