2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide

C18H21NO3S — CID 111442137

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
SMILESCC(O)(CNC(=O)COc1ccc2c(c1)CCC2)c1cccs1
InChIInChI=1S/C18H21NO3S/c1-18(21,16-6-3-9-23-16)12-19-17(20)11-22-15-8-7-13-4-2-5-14(13)10-15/h3,6-10,21H,2,4-5,11-12H2,1H3,(H,19,20)
InChIKeyXJLVUYSFABITBJ-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.64
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide (PubChem CID 111442137) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
PubChem CID111442137
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
SMILESCC(O)(CNC(=O)COc1ccc2c(c1)CCC2)c1cccs1
InChIInChI=1S/C18H21NO3S/c1-18(21,16-6-3-9-23-16)12-19-17(20)11-22-15-8-7-13-4-2-5-14(13)10-15/h3,6-10,21H,2,4-5,11-12H2,1H3,(H,19,20)
InChIKeyXJLVUYSFABITBJ-UHFFFAOYSA-N
XLogP2.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 90499789
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 111482731
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770063
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 95983491
2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide
CID 86976042
2-(2,3-dihydro-1H-inden-5-yloxy)-1-thiophen-2-ylethanone
CID 43411849
N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 26655876
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylpropanoic acid
CID 61261141
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methoxyacetamide
CID 51275231
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111442226
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide
CID 2087247

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide (CID 111442137) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide is CC(O)(CNC(=O)COc1ccc2c(c1)CCC2)c1cccs1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide?
The InChIKey is XJLVUYSFABITBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-18(21,16-6-3-9-23-16)12-19-17(20)11-22-15-8-7-13-4-2-5-14(13)10-15/h3,6-10,21H,2,4-5,11-12H2,1H3,(H,19,20).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide has a molecular weight of 331.44 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide is sourced from PubChem (CID 111442137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).