4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide

C15H17NO2S — CID 90496459

IUPAC4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
SMILESCCc1ccc(C(=O)NCC(O)c2ccsc2)cc1
InChIInChI=1S/C15H17NO2S/c1-2-11-3-5-12(6-4-11)15(18)16-9-14(17)13-7-8-19-10-13/h3-8,10,14,17H,2,9H2,1H3,(H,16,18)
InChIKeyMWOXIHZFIDXOSU-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.77
Rot. Bonds5

About 4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide

4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide (PubChem CID 90496459) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
PubChem CID90496459
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
SMILESCCc1ccc(C(=O)NCC(O)c2ccsc2)cc1
InChIInChI=1S/C15H17NO2S/c1-2-11-3-5-12(6-4-11)15(18)16-9-14(17)13-7-8-19-10-13/h3-8,10,14,17H,2,9H2,1H3,(H,16,18)
InChIKeyMWOXIHZFIDXOSU-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(3-hydroxy-3-thiophen-3-ylpropyl)benzamide
CID 121132069
4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583852
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide
CID 90496462
N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 111441258
4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496546
N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide
CID 121132084
methyl 4-[[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]carbamoyl]benzoate
CID 99981118
3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 111578613
N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide
CID 106436177
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide
CID 90496493
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide (CID 90496459) is 4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide is CCc1ccc(C(=O)NCC(O)c2ccsc2)cc1.
What is the InChIKey of 4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
The InChIKey is MWOXIHZFIDXOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-2-11-3-5-12(6-4-11)15(18)16-9-14(17)13-7-8-19-10-13/h3-8,10,14,17H,2,9H2,1H3,(H,16,18).
What are the key properties of 4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide has a molecular weight of 275.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 90496459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).