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

C20H27NO2S — CID 134917882

IUPAC(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylhexanamide
SMILESCCCC[C@H](C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)c1cccs1
InChIInChI=1S/C20H27NO2S/c1-4-5-12-17(18-13-9-14-24-18)20(23)21(3)15(2)19(22)16-10-7-6-8-11-16/h6-11,13-15,17,19,22H,4-5,12H2,1-3H3/t15-,17-,19+/m0/s1
InChIKeyYVWXMPOIEBERFB-VDZJLULYSA-N
MW345.51 g/mol
LogP4.60
Rot. Bonds8

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

(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylhexanamide (PubChem CID 134917882) has the molecular formula C20H27NO2S and a molecular weight of 345.51 g/mol. Its IUPAC name is (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylhexanamide.

Molecular Properties

Compound Name(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylhexanamide
PubChem CID134917882
Molecular FormulaC20H27NO2S
Molecular Weight345.51 g/mol
Exact Mass345.18
IUPAC Name(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylhexanamide
SMILESCCCC[C@H](C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)c1cccs1
InChIInChI=1S/C20H27NO2S/c1-4-5-12-17(18-13-9-14-24-18)20(23)21(3)15(2)19(22)16-10-7-6-8-11-16/h6-11,13-15,17,19,22H,4-5,12H2,1-3H3/t15-,17-,19+/m0/s1
InChIKeyYVWXMPOIEBERFB-VDZJLULYSA-N
XLogP4.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 54.60
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-ylhexanamide?
The IUPAC name of (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylhexanamide (CID 134917882) is (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylhexanamide.
What is the SMILES notation for (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylhexanamide?
The canonical SMILES for (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylhexanamide is CCCC[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-ylhexanamide?
The InChIKey is YVWXMPOIEBERFB-VDZJLULYSA-N. The full InChI is InChI=1S/C20H27NO2S/c1-4-5-12-17(18-13-9-14-24-18)20(23)21(3)15(2)19(22)16-10-7-6-8-11-16/h6-11,13-15,17,19,22H,4-5,12H2,1-3H3/t15-,17-,19+/m0/s1.
What are the key properties of (2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylhexanamide?
(2R)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-thiophen-2-ylhexanamide has a molecular weight of 345.51 g/mol, XLogP of 4.60, 8 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-ylhexanamide is sourced from PubChem (CID 134917882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).