N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide

C16H19NO2S — CID 37398778

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
SMILESCCOCc1ccccc1CNC(=O)c1sccc1C
InChIInChI=1S/C16H19NO2S/c1-3-19-11-14-7-5-4-6-13(14)10-17-16(18)15-12(2)8-9-20-15/h4-9H,3,10-11H2,1-2H3,(H,17,18)
InChIKeyLMIHJXXDYHVDFN-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.52
Rot. Bonds6

About N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide

N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide (PubChem CID 37398778) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
PubChem CID37398778
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
SMILESCCOCc1ccccc1CNC(=O)c1sccc1C
InChIInChI=1S/C16H19NO2S/c1-3-19-11-14-7-5-4-6-13(14)10-17-16(18)15-12(2)8-9-20-15/h4-9H,3,10-11H2,1-2H3,(H,17,18)
InChIKeyLMIHJXXDYHVDFN-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(ethoxymethyl)phenyl]methyl]-3-pyrrol-1-ylthiophene-2-carboxamide
CID 37397786
N-[(2-chlorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 2481080
3-methyl-N-[[2-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]thiophene-2-carboxamide
CID 51114590
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-3-methylthiophene-2-carboxamide
CID 51319097
4-ethoxy-N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylbenzamide
CID 86938100
3-methyl-N-[2-(2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 31250662
2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylpropanamide
CID 61266399
N-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 37399073
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55851805
4,5-dibromo-N-[[2-(ethoxymethyl)phenyl]methyl]thiophene-2-carboxamide
CID 37399072
N-(2-ethylphenyl)-3-methylthiophene-2-carboxamide
CID 8839481
ethyl 2-[[2-(ethoxymethyl)phenyl]methylamino]acetate
CID 60923273

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide (CID 37398778) is N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide is CCOCc1ccccc1CNC(=O)c1sccc1C.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide?
The InChIKey is LMIHJXXDYHVDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-3-19-11-14-7-5-4-6-13(14)10-17-16(18)15-12(2)8-9-20-15/h4-9H,3,10-11H2,1-2H3,(H,17,18).
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide?
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 37398778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).