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

C16H19NO2S — CID 134872834

IUPACN-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylacetamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)Cc1cccs1
InChIInChI=1S/C16H19NO2S/c1-12(16(19)13-7-4-3-5-8-13)17(2)15(18)11-14-9-6-10-20-14/h3-10,12,16,19H,11H2,1-2H3/t12-,16+/m0/s1
InChIKeyBFQDQTJWXOUHJT-BLLLJJGKSA-N
MW289.40 g/mol
LogP2.87
Rot. Bonds5

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

N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylacetamide (PubChem CID 134872834) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylacetamide
PubChem CID134872834
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylacetamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)Cc1cccs1
InChIInChI=1S/C16H19NO2S/c1-12(16(19)13-7-4-3-5-8-13)17(2)15(18)11-14-9-6-10-20-14/h3-10,12,16,19H,11H2,1-2H3/t12-,16+/m0/s1
InChIKeyBFQDQTJWXOUHJT-BLLLJJGKSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylacetamide (CID 134872834) is N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylacetamide is C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)Cc1cccs1.
What is the InChIKey of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylacetamide?
The InChIKey is BFQDQTJWXOUHJT-BLLLJJGKSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-12(16(19)13-7-4-3-5-8-13)17(2)15(18)11-14-9-6-10-20-14/h3-10,12,16,19H,11H2,1-2H3/t12-,16+/m0/s1.
What are the key properties of N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylacetamide?
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylacetamide has a molecular weight of 289.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 134872834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).