N-[(1S)-2-hydroxy-1-phenylethyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide

C15H17NO2S2 — CID 103945338

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccs1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C15H17NO2S2/c17-9-14(12-5-2-1-3-6-12)16-15(18)11-19-10-13-7-4-8-20-13/h1-8,14,17H,9-11H2,(H,16,18)/t14-/m1/s1
InChIKeyVNXNXNWANGGSGM-CQSZACIVSA-N
MW307.44 g/mol
LogP2.83
Rot. Bonds7

About N-[(1S)-2-hydroxy-1-phenylethyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide

N-[(1S)-2-hydroxy-1-phenylethyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide (PubChem CID 103945338) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
PubChem CID103945338
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
SMILESO=C(CSCc1cccs1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C15H17NO2S2/c17-9-14(12-5-2-1-3-6-12)16-15(18)11-19-10-13-7-4-8-20-13/h1-8,14,17H,9-11H2,(H,16,18)/t14-/m1/s1
InChIKeyVNXNXNWANGGSGM-CQSZACIVSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid
CID 78972918
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103944560
N-(2-hydroxy-1-phenylethyl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 110931174
N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylsulfanylacetamide
CID 103944553
2-(cyanomethylsulfanyl)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63182591
(2S)-5-methoxy-5-oxo-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]pentanoic acid
CID 107820283
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(thiophen-2-ylmethylsulfanyl)acetate
CID 8506457
2-benzylsulfanyl-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9290006
N-[1-(hydroxymethyl)cyclopropyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 115877656
2-(2-fluorophenyl)sulfanyl-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103944451
N-(2-chloro-1-phenylethyl)-2-thiophen-2-ylacetamide
CID 113272323

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide (CID 103945338) is N-[(1S)-2-hydroxy-1-phenylethyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide is O=C(CSCc1cccs1)N[C@H](CO)c1ccccc1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
The InChIKey is VNXNXNWANGGSGM-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17NO2S2/c17-9-14(12-5-2-1-3-6-12)16-15(18)11-19-10-13-7-4-8-20-13/h1-8,14,17H,9-11H2,(H,16,18)/t14-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide has a molecular weight of 307.44 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-2-(thiophen-2-ylmethylsulfanyl)acetamide is sourced from PubChem (CID 103945338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).