N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide

C19H19NO4S — CID 26445074

IUPACN-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc3ccccc3s2)cc(OC)c1OC
InChIInChI=1S/C19H19NO4S/c1-22-14-8-12(9-15(23-2)18(14)24-3)11-20-19(21)17-10-13-6-4-5-7-16(13)25-17/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyCYKNFPAZODTAOC-UHFFFAOYSA-N
MW357.43 g/mol
LogP3.86
Rot. Bonds6

About N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide

N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 26445074) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID26445074
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC NameN-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc3ccccc3s2)cc(OC)c1OC
InChIInChI=1S/C19H19NO4S/c1-22-14-8-12(9-15(23-2)18(14)24-3)11-20-19(21)17-10-13-6-4-5-7-16(13)25-17/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyCYKNFPAZODTAOC-UHFFFAOYSA-N
XLogP3.86
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 115577883
N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 41261586
N-[[3-(hydroxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 63311495
N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 32603799
4-[(1-benzothiophene-2-carbonylamino)methyl]benzoic acid
CID 45302589
N-[2-[(5Z)-2,4-dioxo-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]ethyl]-1-benzothiophene-2-carboxamide
CID 24680505
N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 9483304
N-[[3-(chloromethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 114302345
N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9483409
2,4-diphenyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 24503927
N-(2,2-dimethoxyethyl)-1-benzothiophene-2-carboxamide
CID 60682166
N-[(2-methoxyphenyl)methyl]-1-oxoisothiochromene-3-carboxamide
CID 17015294

Frequently Asked Questions

What is the IUPAC name of N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide (CID 26445074) is N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide is COc1cc(CNC(=O)c2cc3ccccc3s2)cc(OC)c1OC.
What is the InChIKey of N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is CYKNFPAZODTAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-22-14-8-12(9-15(23-2)18(14)24-3)11-20-19(21)17-10-13-6-4-5-7-16(13)25-17/h4-10H,11H2,1-3H3,(H,20,21).
What are the key properties of N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide?
N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 357.43 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 26445074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).