N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide

C18H21NO2S — CID 111451822

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide
SMILESCC(O)(CNC(=O)CCC=Cc1ccccc1)c1ccsc1
InChIInChI=1S/C18H21NO2S/c1-18(21,16-11-12-22-13-16)14-19-17(20)10-6-5-9-15-7-3-2-4-8-15/h2-5,7-9,11-13,21H,6,10,14H2,1H3,(H,19,20)
InChIKeyNGMROTJUZOVNBB-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.57
Rot. Bonds7

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide (PubChem CID 111451822) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide
PubChem CID111451822
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide
SMILESCC(O)(CNC(=O)CCC=Cc1ccccc1)c1ccsc1
InChIInChI=1S/C18H21NO2S/c1-18(21,16-11-12-22-13-16)14-19-17(20)10-6-5-9-15-7-3-2-4-8-15/h2-5,7-9,11-13,21H,6,10,14H2,1H3,(H,19,20)
InChIKeyNGMROTJUZOVNBB-UHFFFAOYSA-N
XLogP3.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutanamide
CID 111452236
4-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)but-3-enamide
CID 111720045
N-(2-hydroxy-2-thiophen-3-ylpropyl)benzamide
CID 111451803
N-[2-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 111452114
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(N-methylanilino)acetamide
CID 111451848
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-phenylpent-4-enamide
CID 111436003
1-(2-hydroxy-2-thiophen-3-ylpropyl)-3-phenylurea
CID 111450187
3-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452313
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2,2-dimethylpropanamide
CID 111452293
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(2-methylpropoxy)propanamide
CID 111451949
N'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide
CID 109477004
4-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-oxobutanamide
CID 111452217

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide (CID 111451822) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide is CC(O)(CNC(=O)CCC=Cc1ccccc1)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide?
The InChIKey is NGMROTJUZOVNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-18(21,16-11-12-22-13-16)14-19-17(20)10-6-5-9-15-7-3-2-4-8-15/h2-5,7-9,11-13,21H,6,10,14H2,1H3,(H,19,20).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide has a molecular weight of 315.44 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylpropyl)-5-phenylpent-4-enamide is sourced from PubChem (CID 111451822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).