N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide

C18H17NO2S — CID 32603799

IUPACN-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C18H17NO2S/c1-21-12-15-8-3-2-7-14(15)11-19-18(20)17-10-13-6-4-5-9-16(13)22-17/h2-10H,11-12H2,1H3,(H,19,20)
InChIKeyADTRFAYRASANNO-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.98
Rot. Bonds5

About N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide

N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide (PubChem CID 32603799) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
PubChem CID32603799
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC NameN-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
SMILESCOCc1ccccc1CNC(=O)c1cc2ccccc2s1
InChIInChI=1S/C18H17NO2S/c1-21-12-15-8-3-2-7-14(15)11-19-18(20)17-10-13-6-4-5-9-16(13)22-17/h2-10H,11-12H2,1H3,(H,19,20)
InChIKeyADTRFAYRASANNO-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2-fluorophenyl)methyl]-1-benzothiophene-2-carboxamide
CID 47008465
N-[(2,5-dimethylfuran-3-yl)methyl]-1-benzothiophene-2-carboxamide
CID 86950363
N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 115577883
N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 26445074
N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
CID 60682166
methyl 3-(1-benzothiophene-2-carbonylamino)-2-hydroxypropanoate
CID 103879191
N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 63311495
3-(1-benzothiophene-2-carbonylamino)-2-methoxypropanoic acid
CID 106107256
N-[[2-(ethoxymethyl)phenyl]methyl]-4-fluoro-1-benzothiophene-2-carboxamide
CID 43062587
N-(2-hydroxy-2-methylpropyl)-1-benzothiophene-2-carboxamide
CID 65109783
4-[(1-benzothiophene-2-carbonylamino)methyl]benzoic acid
CID 45302589
N-[[2-(methoxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762844

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide (CID 32603799) is N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide is COCc1ccccc1CNC(=O)c1cc2ccccc2s1.
What is the InChIKey of N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is ADTRFAYRASANNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-21-12-15-8-3-2-7-14(15)11-19-18(20)17-10-13-6-4-5-9-16(13)22-17/h2-10H,11-12H2,1H3,(H,19,20).
What are the key properties of N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide?
N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 3.98, 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]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 32603799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).