N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide

C16H19NO2S — CID 121132071

IUPACN-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCC(O)c1ccsc1
InChIInChI=1S/C16H19NO2S/c18-15(14-9-11-20-12-14)8-10-17-16(19)7-6-13-4-2-1-3-5-13/h1-5,9,11-12,15,18H,6-8,10H2,(H,17,19)
InChIKeyBNAUZZLRQVKGEO-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.92
Rot. Bonds7

About N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide

N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide (PubChem CID 121132071) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide
PubChem CID121132071
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCCC(O)c1ccsc1
InChIInChI=1S/C16H19NO2S/c18-15(14-9-11-20-12-14)8-10-17-16(19)7-6-13-4-2-1-3-5-13/h1-5,9,11-12,15,18H,6-8,10H2,(H,17,19)
InChIKeyBNAUZZLRQVKGEO-UHFFFAOYSA-N
XLogP2.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-hydroxy-2-thiophen-3-ylethyl)-N-(2-phenylethyl)oxamide
CID 90496649
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931154
N-(3-hydroxy-3-thiophen-3-ylpropyl)-2-naphthalen-2-yloxyacetamide
CID 121132146
3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 111472067
N-(3-amino-3-phenylpropyl)-3-phenylpropanamide
CID 80505663
1-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-3-(2-phenoxyethyl)urea
CID 99981776
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-N'-[(1S)-1-phenylethyl]oxamide
CID 99981562
3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 103686344
N-(3-hydroxy-3-thiophen-3-ylpropyl)-4-propylbenzamide
CID 121132084
N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 99981215
N-[(2S)-2-hydroxy-2-phenylethyl]-3-phenylpropanamide
CID 93032888
N'-(3-hydroxy-3-thiophen-3-ylpropyl)-N-methyloxamide
CID 121132255

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide?
The IUPAC name of N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide (CID 121132071) is N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide.
What is the SMILES notation for N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide?
The canonical SMILES for N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide is O=C(CCc1ccccc1)NCCC(O)c1ccsc1.
What is the InChIKey of N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide?
The InChIKey is BNAUZZLRQVKGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c18-15(14-9-11-20-12-14)8-10-17-16(19)7-6-13-4-2-1-3-5-13/h1-5,9,11-12,15,18H,6-8,10H2,(H,17,19).
What are the key properties of N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide?
N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide has a molecular weight of 289.40 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-thiophen-3-ylpropyl)-3-phenylpropanamide is sourced from PubChem (CID 121132071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).