N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide

C15H17NO2S — CID 90496462

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(O)c2ccsc2)cc1C
InChIInChI=1S/C15H17NO2S/c1-10-3-4-12(7-11(10)2)15(18)16-8-14(17)13-5-6-19-9-13/h3-7,9,14,17H,8H2,1-2H3,(H,16,18)
InChIKeyBQHKCKMCNICABC-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.83
Rot. Bonds4

About N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide (PubChem CID 90496462) 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)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide
PubChem CID90496462
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(O)c2ccsc2)cc1C
InChIInChI=1S/C15H17NO2S/c1-10-3-4-12(7-11(10)2)15(18)16-8-14(17)13-5-6-19-9-13/h3-7,9,14,17H,8H2,1-2H3,(H,16,18)
InChIKeyBQHKCKMCNICABC-UHFFFAOYSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-3-ylethyl]benzamide
CID 40847568
3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 111578613
4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 103686182
N-(2-hydroxy-2-thiophen-3-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 52992616
3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434334
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide
CID 90496493
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3,4-dimethylbenzamide
CID 40952776
N-(2-hydroxy-2-thiophen-3-ylethyl)-6-oxopyran-3-carboxamide
CID 106436177
4-(dimethylsulfamoyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496546
N-(2-hydroxy-2-thiophen-3-ylethyl)quinoline-6-carboxamide
CID 103686077

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide (CID 90496462) is N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(O)c2ccsc2)cc1C.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide?
The InChIKey is BQHKCKMCNICABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-10-3-4-12(7-11(10)2)15(18)16-8-14(17)13-5-6-19-9-13/h3-7,9,14,17H,8H2,1-2H3,(H,16,18).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide has a molecular weight of 275.37 g/mol, XLogP of 2.83, 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-3-ylethyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 90496462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).