2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)acetamide

C17H21NO4S — CID 86264109

IUPAC2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)acetamide
SMILESCOc1ccc(CC(=O)NCCC(O)c2ccsc2)cc1OC
InChIInChI=1S/C17H21NO4S/c1-21-15-4-3-12(9-16(15)22-2)10-17(20)18-7-5-14(19)13-6-8-23-11-13/h3-4,6,8-9,11,14,19H,5,7,10H2,1-2H3,(H,18,20)
InChIKeyCFOJJXPVVKZRMO-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.55
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)acetamide

2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)acetamide (PubChem CID 86264109) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)acetamide
PubChem CID86264109
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)acetamide
SMILESCOc1ccc(CC(=O)NCCC(O)c2ccsc2)cc1OC
InChIInChI=1S/C17H21NO4S/c1-21-15-4-3-12(9-16(15)22-2)10-17(20)18-7-5-14(19)13-6-8-23-11-13/h3-4,6,8-9,11,14,19H,5,7,10H2,1-2H3,(H,18,20)
InChIKeyCFOJJXPVVKZRMO-UHFFFAOYSA-N
XLogP2.55
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]acetamide
CID 121133805
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 99981215
N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(3-methoxyphenoxy)acetamide
CID 121132117
2-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)acetamide
CID 16931742
(E)-N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 121132169
2-(3,4-dimethoxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 43600817
methyl 4-[[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]carbamoyl]benzoate
CID 99981118
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 121239017
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-2-ethylbutanamide
CID 108542599
2-(3,4-dimethoxyphenyl)-N-(5-hydroxy-3-phenylpentyl)acetamide
CID 121112218
N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide
CID 121132084

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)acetamide (CID 86264109) is 2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)acetamide is COc1ccc(CC(=O)NCCC(O)c2ccsc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)acetamide?
The InChIKey is CFOJJXPVVKZRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-21-15-4-3-12(9-16(15)22-2)10-17(20)18-7-5-14(19)13-6-8-23-11-13/h3-4,6,8-9,11,14,19H,5,7,10H2,1-2H3,(H,18,20).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)acetamide has a molecular weight of 335.43 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)acetamide is sourced from PubChem (CID 86264109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).