N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide

C15H17NO4S — CID 90496493

IUPACN-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(O)c2ccsc2)c1
InChIInChI=1S/C15H17NO4S/c1-19-12-5-11(6-13(7-12)20-2)15(18)16-8-14(17)10-3-4-21-9-10/h3-7,9,14,17H,8H2,1-2H3,(H,16,18)
InChIKeyXJAOTAWWTGMIDA-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.23
Rot. Bonds6

About N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide

N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide (PubChem CID 90496493) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide
PubChem CID90496493
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(O)c2ccsc2)c1
InChIInChI=1S/C15H17NO4S/c1-19-12-5-11(6-13(7-12)20-2)15(18)16-8-14(17)10-3-4-21-9-10/h3-7,9,14,17H,8H2,1-2H3,(H,16,18)
InChIKeyXJAOTAWWTGMIDA-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

3,5-dimethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931236
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide
CID 47022575
3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 111578613
3,5-dimethoxy-N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzamide
CID 30604890
3,5-dimethoxy-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
CID 16931647
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide
CID 90496462
(E)-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(3-methoxyphenyl)but-2-enamide
CID 111912016
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide
CID 90534721
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 99903101
4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
N-(2-hydroxy-2-thiophen-3-ylethyl)-4-(trifluoromethoxy)benzamide
CID 111441258

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide (CID 90496493) is N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCC(O)c2ccsc2)c1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide?
The InChIKey is XJAOTAWWTGMIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-19-12-5-11(6-13(7-12)20-2)15(18)16-8-14(17)10-3-4-21-9-10/h3-7,9,14,17H,8H2,1-2H3,(H,16,18).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide?
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-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-3-ylethyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 90496493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).