N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-methylphenyl)acetamide

C15H17NO2S — CID 52992597

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC(O)c2ccsc2)c1
InChIInChI=1S/C15H17NO2S/c1-11-3-2-4-12(7-11)8-15(18)16-9-14(17)13-5-6-19-10-13/h2-7,10,14,17H,8-9H2,1H3,(H,16,18)
InChIKeyRJSBYZBNJLSVPL-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.45
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-methylphenyl)acetamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-methylphenyl)acetamide (PubChem CID 52992597) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-methylphenyl)acetamide
PubChem CID52992597
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)NCC(O)c2ccsc2)c1
InChIInChI=1S/C15H17NO2S/c1-11-3-2-4-12(7-11)8-15(18)16-9-14(17)13-5-6-19-10-13/h2-7,10,14,17H,8-9H2,1H3,(H,16,18)
InChIKeyRJSBYZBNJLSVPL-UHFFFAOYSA-N
XLogP2.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-thiophenecarboxamide
CID 2812766
Ammonium, diethyl(2-(alpha-hydroxy-alpha-phenyl-2-thiopheneacetamido)ethyl)methyl-, bromide
CID 33284
2-Thiopheneacetamide, N-(2-diethylaminoethyl)-alpha-hydroxy-alpha-phenyl-, hydrochloride
CID 216105
(4R,5R)-5-((R)-Hydroxy-thiophen-2-yl-methyl)-4-phenyl-pyrrolidin-2-one
CID 44398156
2-(4-Fluorophenyl)-1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 49669904
N-(2-hydroxy-2-(thiophen-3-yl)ethyl)-2-(thiophen-2-yl)acetamide
CID 52992593
2-((4-fluorophenyl)thio)-N-(2-hydroxy-2-(thiophen-3-yl)ethyl)acetamide
CID 52992618
N-[2-hydroxy-2-(thiophen-3-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 52992625
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 56765456
2-fluoro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzamide
CID 71683851
2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 71781674
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 71781687

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-methylphenyl)acetamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-methylphenyl)acetamide (CID 52992597) is N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)NCC(O)c2ccsc2)c1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-methylphenyl)acetamide?
The InChIKey is RJSBYZBNJLSVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-11-3-2-4-12(7-11)8-15(18)16-9-14(17)13-5-6-19-10-13/h2-7,10,14,17H,8-9H2,1H3,(H,16,18).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-methylphenyl)acetamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-methylphenyl)acetamide has a molecular weight of 275.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 52992597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).