N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-benzothiophene-2-carboxamide

C20H19NO2S — CID 91631318

IUPACN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCOC1(CNC(=O)c2cc3ccccc3s2)Cc2ccccc2C1
InChIInChI=1S/C20H19NO2S/c1-23-20(11-15-7-2-3-8-16(15)12-20)13-21-19(22)18-10-14-6-4-5-9-17(14)24-18/h2-10H,11-13H2,1H3,(H,21,22)
InChIKeyQGZLJNOGBNIDSL-UHFFFAOYSA-N
MW337.44 g/mol
LogP3.82
Rot. Bonds4

About N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-benzothiophene-2-carboxamide

N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 91631318) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID91631318
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCOC1(CNC(=O)c2cc3ccccc3s2)Cc2ccccc2C1
InChIInChI=1S/C20H19NO2S/c1-23-20(11-15-7-2-3-8-16(15)12-20)13-21-19(22)18-10-14-6-4-5-9-17(14)24-18/h2-10H,11-13H2,1H3,(H,21,22)
InChIKeyQGZLJNOGBNIDSL-UHFFFAOYSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)-1-benzothiophene-2-carboxamide
CID 66509288
N-(2-(2-fluorophenyl)-2-methoxypropyl)benzo[b]thiophene-2-carboxamide
CID 90599210
N-[(S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]o-(trifluoromethyl)benzamide
CID 99980061
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-2-(ethylthio)benzamide
CID 86263963
N-(2-methoxy-2-phenylbutyl)-1-benzothiophene-2-carboxamide
CID 90599598
N-[(2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]thiophene-3-carboxamide
CID 91631267
5-chloro-N-[(2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]thiophene-2-carboxamide
CID 91631282
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-2-(methylthio)benzamide
CID 91631286
N-(5-fluoro-2-methoxy-4-methylidenecyclohexyl)-1-benzothiophene-3-carboxamide
CID 91047397
4-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 30855765
5-fluoro-N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 33067019
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1-benzothiophene-2-carboxamide
CID 60314501

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-benzothiophene-2-carboxamide (CID 91631318) is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-benzothiophene-2-carboxamide is COC1(CNC(=O)c2cc3ccccc3s2)Cc2ccccc2C1.
What is the InChIKey of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is QGZLJNOGBNIDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-23-20(11-15-7-2-3-8-16(15)12-20)13-21-19(22)18-10-14-6-4-5-9-17(14)24-18/h2-10H,11-13H2,1H3,(H,21,22).
What are the key properties of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-benzothiophene-2-carboxamide?
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 337.44 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 91631318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).