N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide

C15H17NO4S — CID 90500029

IUPACN-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC(O)c1cccs1
InChIInChI=1S/C15H17NO4S/c1-19-11-5-3-6-12(20-2)14(11)15(18)16-9-10(17)13-7-4-8-21-13/h3-8,10,17H,9H2,1-2H3,(H,16,18)
InChIKeyWDFOMEBBYWFARY-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.23
Rot. Bonds6

About N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide

N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide (PubChem CID 90500029) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide
PubChem CID90500029
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC(O)c1cccs1
InChIInChI=1S/C15H17NO4S/c1-19-11-5-3-6-12(20-2)14(11)15(18)16-9-10(17)13-7-4-8-21-13/h3-8,10,17H,9H2,1-2H3,(H,16,18)
InChIKeyWDFOMEBBYWFARY-UHFFFAOYSA-N
XLogP2.23
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide
CID 30834274
2,6-dichloro-N-[(2R)-2-hydroxy-2-thiophen-2-ylethyl]benzamide
CID 97076524
N-(2-hydroxypropyl)-2,6-dimethoxybenzamide
CID 43501194
2,6-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 16831434
N-(2-hydroxy-2-thiophen-2-ylethyl)-3-methylbenzamide
CID 82121701
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
CID 12071428
N-(2-hydroxypentyl)-2,6-dimethoxybenzamide
CID 115744628
N-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide
CID 103819903
(E)-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 95983427
4-bromo-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90500059
2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
CID 110731438
3-chloro-N-(2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 71683855

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide (CID 90500029) is N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCC(O)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide?
The InChIKey is WDFOMEBBYWFARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-19-11-5-3-6-12(20-2)14(11)15(18)16-9-10(17)13-7-4-8-21-13/h3-8,10,17H,9H2,1-2H3,(H,16,18).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide?
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide has a molecular weight of 307.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 90500029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).