N-[[2-(ethoxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide

C17H21NO2S — CID 37398938

IUPACN-[[2-(ethoxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCCOCc1ccccc1CNC(=O)c1cc(C)c(C)s1
InChIInChI=1S/C17H21NO2S/c1-4-20-11-15-8-6-5-7-14(15)10-18-17(19)16-9-12(2)13(3)21-16/h5-9H,4,10-11H2,1-3H3,(H,18,19)
InChIKeyUGBWTIKCIAMPPQ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.83
Rot. Bonds6

About N-[[2-(ethoxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide

N-[[2-(ethoxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 37398938) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID37398938
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-[[2-(ethoxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCCOCc1ccccc1CNC(=O)c1cc(C)c(C)s1
InChIInChI=1S/C17H21NO2S/c1-4-20-11-15-8-6-5-7-14(15)10-18-17(19)16-9-12(2)13(3)21-16/h5-9H,4,10-11H2,1-3H3,(H,18,19)
InChIKeyUGBWTIKCIAMPPQ-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[[2-(ethoxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide (CID 37398938) is N-[[2-(ethoxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(ethoxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[[2-(ethoxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide is CCOCc1ccccc1CNC(=O)c1cc(C)c(C)s1.
What is the InChIKey of N-[[2-(ethoxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is UGBWTIKCIAMPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-4-20-11-15-8-6-5-7-14(15)10-18-17(19)16-9-12(2)13(3)21-16/h5-9H,4,10-11H2,1-3H3,(H,18,19).
What are the key properties of N-[[2-(ethoxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide?
N-[[2-(ethoxymethyl)phenyl]methyl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.83, 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]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 37398938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).