N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide

C14H15NO2S — CID 82121701

IUPACN-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(O)c2cccs2)c1
InChIInChI=1S/C14H15NO2S/c1-10-4-2-5-11(8-10)14(17)15-9-12(16)13-6-3-7-18-13/h2-8,12,16H,9H2,1H3,(H,15,17)
InChIKeyYLNFSHQQPVJRPL-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.52
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide

N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide (PubChem CID 82121701) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
PubChem CID82121701
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(O)c2cccs2)c1
InChIInChI=1S/C14H15NO2S/c1-10-4-2-5-11(8-10)14(17)15-9-12(16)13-6-3-7-18-13/h2-8,12,16H,9H2,1H3,(H,15,17)
InChIKeyYLNFSHQQPVJRPL-UHFFFAOYSA-N
XLogP2.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 71683855
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide
CID 112503925
3-cyano-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90499972
3-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17012410
3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 17011590
3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
CID 82121213
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90500059
3-methyl-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7918060
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
3-methyl-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]benzamide
CID 9051719
2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 97076524

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide (CID 82121701) is N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide is Cc1cccc(C(=O)NCC(O)c2cccs2)c1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide?
The InChIKey is YLNFSHQQPVJRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-10-4-2-5-11(8-10)14(17)15-9-12(16)13-6-3-7-18-13/h2-8,12,16H,9H2,1H3,(H,15,17).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide?
N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide has a molecular weight of 261.35 g/mol, XLogP of 2.52, 4 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-2-ylethyl)-3-methylbenzamide is sourced from PubChem (CID 82121701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).