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

C17H21NO2S — CID 134918020

IUPAC(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylpropanamide
SMILESC[C@H](C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)c1cccs1
InChIInChI=1S/C17H21NO2S/c1-12(15-10-7-11-21-15)17(20)18(3)13(2)16(19)14-8-5-4-6-9-14/h4-13,16,19H,1-3H3/t12-,13-,16+/m0/s1
InChIKeyFAVSHABWKPBDGS-HEHGZKQESA-N
MW303.43 g/mol
LogP3.43
Rot. Bonds5

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

(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylpropanamide (PubChem CID 134918020) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylpropanamide
PubChem CID134918020
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylpropanamide
SMILESC[C@H](C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)c1cccs1
InChIInChI=1S/C17H21NO2S/c1-12(15-10-7-11-21-15)17(20)18(3)13(2)16(19)14-8-5-4-6-9-14/h4-13,16,19H,1-3H3/t12-,13-,16+/m0/s1
InChIKeyFAVSHABWKPBDGS-HEHGZKQESA-N
XLogP3.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylpropanamide?
The IUPAC name of (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylpropanamide (CID 134918020) is (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylpropanamide.
What is the SMILES notation for (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylpropanamide?
The canonical SMILES for (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylpropanamide is C[C@H](C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)c1cccs1.
What is the InChIKey of (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylpropanamide?
The InChIKey is FAVSHABWKPBDGS-HEHGZKQESA-N. The full InChI is InChI=1S/C17H21NO2S/c1-12(15-10-7-11-21-15)17(20)18(3)13(2)16(19)14-8-5-4-6-9-14/h4-13,16,19H,1-3H3/t12-,13-,16+/m0/s1.
What are the key properties of (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylpropanamide?
(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylpropanamide has a molecular weight of 303.43 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 134918020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).