N-[(3S)-3-hydroxy-3-phenylpropyl]-2-thiophen-2-ylacetamide

C15H17NO2S — CID 97038553

IUPACN-[(3S)-3-hydroxy-3-phenylpropyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC[C@H](O)c1ccccc1
InChIInChI=1S/C15H17NO2S/c17-14(12-5-2-1-3-6-12)8-9-16-15(18)11-13-7-4-10-19-13/h1-7,10,14,17H,8-9,11H2,(H,16,18)/t14-/m0/s1
InChIKeyJIUNIEZUHBRXFF-AWEZNQCLSA-N
MW275.37 g/mol
LogP2.53
Rot. Bonds6

About N-[(3S)-3-hydroxy-3-phenylpropyl]-2-thiophen-2-ylacetamide

N-[(3S)-3-hydroxy-3-phenylpropyl]-2-thiophen-2-ylacetamide (PubChem CID 97038553) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[(3S)-3-hydroxy-3-phenylpropyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3S)-3-hydroxy-3-phenylpropyl]-2-thiophen-2-ylacetamide
PubChem CID97038553
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-[(3S)-3-hydroxy-3-phenylpropyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC[C@H](O)c1ccccc1
InChIInChI=1S/C15H17NO2S/c17-14(12-5-2-1-3-6-12)8-9-16-15(18)11-13-7-4-10-19-13/h1-7,10,14,17H,8-9,11H2,(H,16,18)/t14-/m0/s1
InChIKeyJIUNIEZUHBRXFF-AWEZNQCLSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-hydroxy-3-phenylpropyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3S)-3-hydroxy-3-phenylpropyl]-2-thiophen-2-ylacetamide (CID 97038553) is N-[(3S)-3-hydroxy-3-phenylpropyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3S)-3-hydroxy-3-phenylpropyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3S)-3-hydroxy-3-phenylpropyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCC[C@H](O)c1ccccc1.
What is the InChIKey of N-[(3S)-3-hydroxy-3-phenylpropyl]-2-thiophen-2-ylacetamide?
The InChIKey is JIUNIEZUHBRXFF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17NO2S/c17-14(12-5-2-1-3-6-12)8-9-16-15(18)11-13-7-4-10-19-13/h1-7,10,14,17H,8-9,11H2,(H,16,18)/t14-/m0/s1.
What are the key properties of N-[(3S)-3-hydroxy-3-phenylpropyl]-2-thiophen-2-ylacetamide?
N-[(3S)-3-hydroxy-3-phenylpropyl]-2-thiophen-2-ylacetamide has a molecular weight of 275.37 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-hydroxy-3-phenylpropyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 97038553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).