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

C16H17NO2S — CID 99708335

IUPACN-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC[C@]1(O)CCc2ccccc21
InChIInChI=1S/C16H17NO2S/c18-15(9-12-6-8-20-10-12)17-11-16(19)7-5-13-3-1-2-4-14(13)16/h1-4,6,8,10,19H,5,7,9,11H2,(H,17,18)/t16-/m1/s1
InChIKeyUWXIYGGGUROHIC-MRXNPFEDSA-N
MW287.38 g/mol
LogP2.24
Rot. Bonds4

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

N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 99708335) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-thiophen-3-ylacetamide
PubChem CID99708335
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC NameN-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)NC[C@]1(O)CCc2ccccc21
InChIInChI=1S/C16H17NO2S/c18-15(9-12-6-8-20-10-12)17-11-16(19)7-5-13-3-1-2-4-14(13)16/h1-4,6,8,10,19H,5,7,9,11H2,(H,17,18)/t16-/m1/s1
InChIKeyUWXIYGGGUROHIC-MRXNPFEDSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ammonium, diethyl(2-(alpha-hydroxy-alpha-phenyl-2-thiopheneacetamido)ethyl)methyl-, bromide
CID 33284
2-Thiopheneacetamide, N-(2-diethylaminoethyl)-alpha-hydroxy-alpha-phenyl-, hydrochloride
CID 216105
N-[2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 71781710
2-(thiophen-2-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 71781968
2-(thiophen-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 76147682
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)thiophene-2-carboxamide
CID 71782124
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)thiophene-3-carboxamide
CID 71782125
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-3-(phenylthio)propanamide
CID 71782151
N-((1-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl)-3-(phenylsulfonyl)propanamide
CID 71782165
N-(2-hydroxy-2-(thiophen-2-yl)ethyl)-2-phenylbutanamide
CID 71782427
N-(2-hydroxy-2-(4-(methylthio)phenyl)ethyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 71803824
N-[(2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]-2-(thiophen-3-yl)acetamide
CID 91631315

Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-thiophen-3-ylacetamide (CID 99708335) is N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)NC[C@]1(O)CCc2ccccc21.
What is the InChIKey of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is UWXIYGGGUROHIC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17NO2S/c18-15(9-12-6-8-20-10-12)17-11-16(19)7-5-13-3-1-2-4-14(13)16/h1-4,6,8,10,19H,5,7,9,11H2,(H,17,18)/t16-/m1/s1.
What are the key properties of N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-thiophen-3-ylacetamide?
N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 287.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 99708335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).