N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxo-4-thiophen-2-ylbutanamide

C17H17NO2S — CID 166244952

IUPACN-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C17H17NO2S/c19-15(16-6-3-11-21-16)9-10-17(20)18-14-8-7-12-4-1-2-5-13(12)14/h1-6,11,14H,7-10H2,(H,18,20)/t14-/m1/s1
InChIKeyJEHZGGRTSGGHLL-CQSZACIVSA-N
MW299.39 g/mol
LogP3.51
Rot. Bonds5

About N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxo-4-thiophen-2-ylbutanamide

N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 166244952) has the molecular formula C17H17NO2S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID166244952
Molecular FormulaC17H17NO2S
Molecular Weight299.39 g/mol
Exact Mass299.10
IUPAC NameN-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESO=C(CCC(=O)c1cccs1)N[C@@H]1CCc2ccccc21
InChIInChI=1S/C17H17NO2S/c19-15(16-6-3-11-21-16)9-10-17(20)18-14-8-7-12-4-1-2-5-13(12)14/h1-6,11,14H,7-10H2,(H,18,20)/t14-/m1/s1
InChIKeyJEHZGGRTSGGHLL-CQSZACIVSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 166301711
N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 166225563
N-[(1R)-2,3-dihydro-1H-inden-1-yl]pent-4-enamide
CID 100952588
N-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 51273592
N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide
CID 23624796
6-amino-N-(2,3-dihydro-1H-inden-1-yl)hexanamide
CID 43652067
N-(2,3-dihydro-1H-inden-1-yl)-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide
CID 45221734
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
N-(2,3-dihydro-1H-inden-1-yl)-4-(2,3-dihydro-1H-inden-1-ylamino)-4-hydroxybutanamide
CID 134345086
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 6183388
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
N-(2,3-dihydro-1H-inden-1-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18131558

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxo-4-thiophen-2-ylbutanamide (CID 166244952) is N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxo-4-thiophen-2-ylbutanamide is O=C(CCC(=O)c1cccs1)N[C@@H]1CCc2ccccc21.
What is the InChIKey of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is JEHZGGRTSGGHLL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17NO2S/c19-15(16-6-3-11-21-16)9-10-17(20)18-14-8-7-12-4-1-2-5-13(12)14/h1-6,11,14H,7-10H2,(H,18,20)/t14-/m1/s1.
What are the key properties of N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 299.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 166244952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).