2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]-N-[(1S)-1-thiophen-2-ylethyl]acetamide

C17H17NO3S — CID 99823338

IUPAC2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc2c(c1)CCC2=O)c1cccs1
InChIInChI=1S/C17H17NO3S/c1-11(16-3-2-8-22-16)18-17(20)10-21-13-5-6-14-12(9-13)4-7-15(14)19/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyZLURCNFRLAKMER-NSHDSACASA-N
MW315.39 g/mol
LogP3.13
Rot. Bonds5

About 2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]-N-[(1S)-1-thiophen-2-ylethyl]acetamide

2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]-N-[(1S)-1-thiophen-2-ylethyl]acetamide (PubChem CID 99823338) has the molecular formula C17H17NO3S and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]-N-[(1S)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
PubChem CID99823338
Molecular FormulaC17H17NO3S
Molecular Weight315.39 g/mol
Exact Mass315.09
IUPAC Name2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)COc1ccc2c(c1)CCC2=O)c1cccs1
InChIInChI=1S/C17H17NO3S/c1-11(16-3-2-8-22-16)18-17(20)10-21-13-5-6-14-12(9-13)4-7-15(14)19/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyZLURCNFRLAKMER-NSHDSACASA-N
XLogP3.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]-N-[(1S)-1-thiophen-2-ylethyl]acetamide with MolForge

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Related Compounds

[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7570735
2-(3-bromophenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 18170277
2-(3-acetylphenoxy)-N-(1-thiophen-2-ylethyl)acetamide
CID 18170275
N-fluoro-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]acetamide
CID 143296533
2-[(2,6-dimethyl-4-pyridinyl)oxy]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 99621957
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 9273558
N-cyclopentyl-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]acetamide
CID 104982186
4-(2-amino-2-oxoethoxy)-N-(1-thiophen-2-ylethyl)benzamide
CID 18110988
N-[(1S)-1-thiophen-2-ylethyl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7918061
N-(3-methoxypropyl)-2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]acetamide
CID 104986087
2-(2-ethoxyphenoxy)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7918077
2-(2,5-dimethylphenoxy)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8910471

Frequently Asked Questions

What is the IUPAC name of 2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]-N-[(1S)-1-thiophen-2-ylethyl]acetamide (CID 99823338) is 2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]-N-[(1S)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]-N-[(1S)-1-thiophen-2-ylethyl]acetamide is C[C@H](NC(=O)COc1ccc2c(c1)CCC2=O)c1cccs1.
What is the InChIKey of 2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is ZLURCNFRLAKMER-NSHDSACASA-N. The full InChI is InChI=1S/C17H17NO3S/c1-11(16-3-2-8-22-16)18-17(20)10-21-13-5-6-14-12(9-13)4-7-15(14)19/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,18,20)/t11-/m0/s1.
What are the key properties of 2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]-N-[(1S)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 315.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]-N-[(1S)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 99823338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).