(2S)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide

C18H23NO3S — CID 97215274

IUPAC(2S)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide
SMILESC[C@H](OC[C@H](O)CNC(=O)[C@@H](C)c1ccsc1)c1ccccc1
InChIInChI=1S/C18H23NO3S/c1-13(16-8-9-23-12-16)18(21)19-10-17(20)11-22-14(2)15-6-4-3-5-7-15/h3-9,12-14,17,20H,10-11H2,1-2H3,(H,19,21)/t13-,14-,17+/m0/s1
InChIKeyONNWBKZOCZXLLU-GRDNDAEWSA-N
MW333.45 g/mol
LogP3.11
Rot. Bonds8

About (2S)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide

(2S)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide (PubChem CID 97215274) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide
PubChem CID97215274
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name(2S)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide
SMILESC[C@H](OC[C@H](O)CNC(=O)[C@@H](C)c1ccsc1)c1ccccc1
InChIInChI=1S/C18H23NO3S/c1-13(16-8-9-23-12-16)18(21)19-10-17(20)11-22-14(2)15-6-4-3-5-7-15/h3-9,12-14,17,20H,10-11H2,1-2H3,(H,19,21)/t13-,14-,17+/m0/s1
InChIKeyONNWBKZOCZXLLU-GRDNDAEWSA-N
XLogP3.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide
CID 124856624
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-thiophen-3-ylpropanamide
CID 111697721
4-methyl-2-[(2-thiophen-3-ylpropanoylamino)methyl]pentanoic acid
CID 119253075
methyl 3-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]propanoate
CID 60925192
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-thiophen-3-ylpropanamide
CID 111450921
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]ethylurea
CID 83121787
N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]-5-methylthiophene-2-carboxamide
CID 94800112
N-[(2R)-2-hydroxy-3-[(1R)-1-phenylethoxy]propyl]cyclopentanecarboxamide
CID 94800865
3-phenyl-3-(2-thiophen-3-ylpropanoylamino)propanoic acid
CID 75513225
1-[2-hydroxy-3-(1-phenylethoxy)propyl]-3-(1,3,4-thiadiazol-2-yl)urea
CID 51084625
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-propan-2-ylacetamide
CID 60910597
2-[[2-hydroxy-3-(1-phenylethoxy)propyl]amino]-N-methylacetamide
CID 60901591

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide?
The IUPAC name of (2S)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide (CID 97215274) is (2S)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide.
What is the SMILES notation for (2S)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide?
The canonical SMILES for (2S)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide is C[C@H](OC[C@H](O)CNC(=O)[C@@H](C)c1ccsc1)c1ccccc1.
What is the InChIKey of (2S)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide?
The InChIKey is ONNWBKZOCZXLLU-GRDNDAEWSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-13(16-8-9-23-12-16)18(21)19-10-17(20)11-22-14(2)15-6-4-3-5-7-15/h3-9,12-14,17,20H,10-11H2,1-2H3,(H,19,21)/t13-,14-,17+/m0/s1.
What are the key properties of (2S)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide?
(2S)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide has a molecular weight of 333.45 g/mol, XLogP of 3.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]-2-thiophen-3-ylpropanamide is sourced from PubChem (CID 97215274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).