N-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide

C10H15NO2S — CID 103920243

IUPACN-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide
SMILESCC[C@H](CO)NC(=O)Cc1ccsc1
InChIInChI=1S/C10H15NO2S/c1-2-9(6-12)11-10(13)5-8-3-4-14-7-8/h3-4,7,9,12H,2,5-6H2,1H3,(H,11,13)/t9-/m1/s1
InChIKeyIPTCORWDRJJGPZ-SECBINFHSA-N
MW213.30 g/mol
LogP1.18
Rot. Bonds5

About N-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide

N-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide (PubChem CID 103920243) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide
PubChem CID103920243
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide
SMILESCC[C@H](CO)NC(=O)Cc1ccsc1
InChIInChI=1S/C10H15NO2S/c1-2-9(6-12)11-10(13)5-8-3-4-14-7-8/h3-4,7,9,12H,2,5-6H2,1H3,(H,11,13)/t9-/m1/s1
InChIKeyIPTCORWDRJJGPZ-SECBINFHSA-N
XLogP1.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-1-sulfanylidenepentan-3-yl)-2-thiophen-3-ylacetamide
CID 62652889
(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850
2-(4-cyanophenyl)-N-(1-hydroxybutan-2-yl)acetamide
CID 103944313
2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid
CID 65219165
5-phenyl-4-[(2-thiophen-3-ylacetyl)amino]pentanoic acid
CID 120547119
2-(2-chlorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103920161
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide
CID 103891021
ethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate
CID 110183706
2-(2-ethyl-1,3-thiazol-4-yl)-N-(1-hydroxybutan-2-yl)acetamide
CID 110903716
(2R)-4-methylsulfanyl-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 28777321
4-methylsulfonyl-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 43105283
N-(1-hydroxybutan-2-yl)-2-(2-methylsulfanylphenyl)acetamide
CID 110466057

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide (CID 103920243) is N-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide is CC[C@H](CO)NC(=O)Cc1ccsc1.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide?
The InChIKey is IPTCORWDRJJGPZ-SECBINFHSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-2-9(6-12)11-10(13)5-8-3-4-14-7-8/h3-4,7,9,12H,2,5-6H2,1H3,(H,11,13)/t9-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide?
N-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide has a molecular weight of 213.30 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 103920243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).