N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiophene-2-carboxamide

C13H15NO2S2 — CID 71782347

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCC(C)(O)c2cccs2)c1
InChIInChI=1S/C13H15NO2S2/c1-9-6-10(18-7-9)12(15)14-8-13(2,16)11-4-3-5-17-11/h3-7,16H,8H2,1-2H3,(H,14,15)
InChIKeyWURNBTGFLFKWES-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.76
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiophene-2-carboxamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiophene-2-carboxamide (PubChem CID 71782347) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiophene-2-carboxamide
PubChem CID71782347
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCC(C)(O)c2cccs2)c1
InChIInChI=1S/C13H15NO2S2/c1-9-6-10(18-7-9)12(15)14-8-13(2,16)11-4-3-5-17-11/h3-7,16H,8H2,1-2H3,(H,14,15)
InChIKeyWURNBTGFLFKWES-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-thiophenecarboxamide
CID 2812766
5-methyl-N-(thiophen-2-ylmethyl)thiophene-3-carboxamide
CID 1247750
N-(2-hydroxy-2-(thiophen-3-yl)ethyl)-2-(thiophen-2-yl)acetamide
CID 52992593
N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)thiophene-3-carboxamide
CID 56764199
2-fluoro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzamide
CID 71683851
N-[(S)-2-hydroxy-2-(2-thienyl)propyl]2,6-difluorobenzamide
CID 95983276
N-[(S)-3-hydroxy-3-(2-thienyl)propyl]-4-methyl-2-thenamide
CID 96350392
N-[(1-hydroxycyclopentyl)methyl]thiophene-2-carboxamide
CID 49670539
N-(2-hydroxy-2-(thiophen-3-yl)ethyl)-2-(methylthio)benzamide
CID 52992609
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]thiophene-3-carboxamide
CID 71781668
N-[2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl]thiophene-2-carboxamide
CID 71781706
N-[2-hydroxy-2-(thiophen-2-yl)propyl]-2-(thiophen-2-yl)acetamide
CID 71782348

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiophene-2-carboxamide (CID 71782347) is N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NCC(C)(O)c2cccs2)c1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiophene-2-carboxamide?
The InChIKey is WURNBTGFLFKWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-9-6-10(18-7-9)12(15)14-8-13(2,16)11-4-3-5-17-11/h3-7,16H,8H2,1-2H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiophene-2-carboxamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiophene-2-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 71782347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).