N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(3-methoxyphenoxy)acetamide

C16H19NO4S — CID 121132117

IUPACN-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)NCCC(O)c2ccsc2)c1
InChIInChI=1S/C16H19NO4S/c1-20-13-3-2-4-14(9-13)21-10-16(19)17-7-5-15(18)12-6-8-22-11-12/h2-4,6,8-9,11,15,18H,5,7,10H2,1H3,(H,17,19)
InChIKeyLVMXKWSTIWVFMY-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.38
Rot. Bonds8

About N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(3-methoxyphenoxy)acetamide

N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(3-methoxyphenoxy)acetamide (PubChem CID 121132117) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(3-methoxyphenoxy)acetamide
PubChem CID121132117
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)NCCC(O)c2ccsc2)c1
InChIInChI=1S/C16H19NO4S/c1-20-13-3-2-4-14(9-13)21-10-16(19)17-7-5-15(18)12-6-8-22-11-12/h2-4,6,8-9,11,15,18H,5,7,10H2,1H3,(H,17,19)
InChIKeyLVMXKWSTIWVFMY-UHFFFAOYSA-N
XLogP2.38
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-naphthalen-2-yloxyacetamide
CID 121132146
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 111441664
2-(3-methoxyphenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 51589874
methyl 3-[[2-(3-methoxyphenoxy)acetyl]amino]propanoate
CID 82018109
2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-3-thiophen-3-ylpropyl)acetamide
CID 86264109
1-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(2-phenoxyethyl)urea
CID 99981776
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008
N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide
CID 121132071
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-(3-methylphenoxy)acetamide
CID 16931206
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide
CID 90496493
3-(2,5-dimethoxyphenyl)-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-1-methylpyrazole-5-carboxamide
CID 99981286
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(3-methoxyphenoxy)acetamide (CID 121132117) is N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)NCCC(O)c2ccsc2)c1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(3-methoxyphenoxy)acetamide?
The InChIKey is LVMXKWSTIWVFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-20-13-3-2-4-14(9-13)21-10-16(19)17-7-5-15(18)12-6-8-22-11-12/h2-4,6,8-9,11,15,18H,5,7,10H2,1H3,(H,17,19).
What are the key properties of N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(3-methoxyphenoxy)acetamide?
N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(3-methoxyphenoxy)acetamide has a molecular weight of 321.40 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 121132117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).