N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-thiophen-3-ylacetamide

C17H19NO2S — CID 91631315

IUPACN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-thiophen-3-ylacetamide
SMILESCOC1(CNC(=O)Cc2ccsc2)Cc2ccccc2C1
InChIInChI=1S/C17H19NO2S/c1-20-17(9-14-4-2-3-5-15(14)10-17)12-18-16(19)8-13-6-7-21-11-13/h2-7,11H,8-10,12H2,1H3,(H,18,19)
InChIKeyCVELFTGCMACZOG-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.59
Rot. Bonds5

About N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-thiophen-3-ylacetamide

N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-thiophen-3-ylacetamide (PubChem CID 91631315) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-thiophen-3-ylacetamide
PubChem CID91631315
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-thiophen-3-ylacetamide
SMILESCOC1(CNC(=O)Cc2ccsc2)Cc2ccccc2C1
InChIInChI=1S/C17H19NO2S/c1-20-17(9-14-4-2-3-5-15(14)10-17)12-18-16(19)8-13-6-7-21-11-13/h2-7,11H,8-10,12H2,1H3,(H,18,19)
InChIKeyCVELFTGCMACZOG-UHFFFAOYSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-((4-fluorophenyl)thio)-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)acetamide
CID 91631299
N-[(R)-2-(o-fluorophenyl)-2-methoxypropyl](3-thienyl)acetamide
CID 97428418
N-(2-methoxy-2-(o-tolyl)ethyl)-2-(thiophen-2-yl)acetamide
CID 71810462
N-[(2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]thiophene-3-carboxamide
CID 91631267
2-(cyclopentylthio)-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)acetamide
CID 91631279
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)-3-(phenylthio)propanamide
CID 91631297
N1-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-N2-(thiophen-2-ylmethyl)oxalamide
CID 91631359
1-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-3-(thiophen-2-ylmethyl)urea
CID 91631372
N-{[(S)-1-hydroxy-1-indanyl]methyl}1-(2-thienyl)cyclopentanecarboxamide
CID 95983130
N-[(R)-2-methoxy-2-(o-tolyl)ethyl](3-thienyl)acetamide
CID 97417754
N-{[(S)-1-hydroxy-1-indanyl]methyl}(3-thienyl)acetamide
CID 99708335

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-thiophen-3-ylacetamide (CID 91631315) is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-thiophen-3-ylacetamide is COC1(CNC(=O)Cc2ccsc2)Cc2ccccc2C1.
What is the InChIKey of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-thiophen-3-ylacetamide?
The InChIKey is CVELFTGCMACZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-20-17(9-14-4-2-3-5-15(14)10-17)12-18-16(19)8-13-6-7-21-11-13/h2-7,11H,8-10,12H2,1H3,(H,18,19).
What are the key properties of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-thiophen-3-ylacetamide?
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-thiophen-3-ylacetamide has a molecular weight of 301.41 g/mol, XLogP of 2.59, 5 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]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 91631315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).