2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide

C19H23NO3S — CID 52769842

IUPAC2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)CSC[C@@H](O)c1ccccc1
InChIInChI=1S/C19H23NO3S/c1-14(16-10-6-7-11-18(16)23-2)20-19(22)13-24-12-17(21)15-8-4-3-5-9-15/h3-11,14,17,21H,12-13H2,1-2H3,(H,20,22)/t14-,17-/m1/s1
InChIKeyFDLZLTPRLJEAEQ-RHSMWYFYSA-N
MW345.46 g/mol
LogP3.34
Rot. Bonds8

About 2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide

2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 52769842) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
PubChem CID52769842
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)CSC[C@@H](O)c1ccccc1
InChIInChI=1S/C19H23NO3S/c1-14(16-10-6-7-11-18(16)23-2)20-19(22)13-24-12-17(21)15-8-4-3-5-9-15/h3-11,14,17,21H,12-13H2,1-2H3,(H,20,22)/t14-,17-/m1/s1
InChIKeyFDLZLTPRLJEAEQ-RHSMWYFYSA-N
XLogP3.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)methylsulfanyl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 133255559
3-amino-N-[1-(2-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119948894
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26882671
2-(4-chlorophenyl)sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26882670
2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 52772198
N-tert-butyl-2-[(2R)-2-hydroxy-2-phenylethyl]sulfanylacetamide
CID 94209967
2-[2-[1-[2-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569362
methyl 2-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanylacetate
CID 18078994
2-ethoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387481
2-(1H-benzimidazol-2-ylsulfanyl)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 18191831
2-amino-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]acetamide
CID 81387632
3-(ethylamino)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 62834607

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide (CID 52769842) is 2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1[C@@H](C)NC(=O)CSC[C@@H](O)c1ccccc1.
What is the InChIKey of 2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is FDLZLTPRLJEAEQ-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-14(16-10-6-7-11-18(16)23-2)20-19(22)13-24-12-17(21)15-8-4-3-5-9-15/h3-11,14,17,21H,12-13H2,1-2H3,(H,20,22)/t14-,17-/m1/s1.
What are the key properties of 2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide?
2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 345.46 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-hydroxy-2-phenylethyl]sulfanyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 52769842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).