N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide

C16H19NO2S — CID 32603894

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1cc(C)sc1C
InChIInChI=1S/C16H19NO2S/c1-11-8-15(12(2)20-11)16(18)17-9-13-6-4-5-7-14(13)10-19-3/h4-8H,9-10H2,1-3H3,(H,17,18)
InChIKeyIBQOHHVDRGCMFF-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.44
Rot. Bonds5

About N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide

N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide (PubChem CID 32603894) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide
PubChem CID32603894
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1cc(C)sc1C
InChIInChI=1S/C16H19NO2S/c1-11-8-15(12(2)20-11)16(18)17-9-13-6-4-5-7-14(13)10-19-3/h4-8H,9-10H2,1-3H3,(H,17,18)
InChIKeyIBQOHHVDRGCMFF-UHFFFAOYSA-N
XLogP3.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide (CID 32603894) is N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide is COCc1ccccc1CNC(=O)c1cc(C)sc1C.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is IBQOHHVDRGCMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-11-8-15(12(2)20-11)16(18)17-9-13-6-4-5-7-14(13)10-19-3/h4-8H,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide?
N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)phenyl]methyl]-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 32603894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).