N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide

C18H21NO2S — CID 71781709

IUPACN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C18H21NO2S/c20-17(11-8-14-5-2-1-3-6-14)19-13-18(21,15-9-10-15)16-7-4-12-22-16/h1-7,12,15,21H,8-11,13H2,(H,19,20)
InChIKeyJSTGEZWGCFLVKP-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.09
Rot. Bonds7

About N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide

N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide (PubChem CID 71781709) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide
PubChem CID71781709
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NCC(O)(c1cccs1)C1CC1
InChIInChI=1S/C18H21NO2S/c20-17(11-8-14-5-2-1-3-6-14)19-13-18(21,15-9-10-15)16-7-4-12-22-16/h1-7,12,15,21H,8-11,13H2,(H,19,20)
InChIKeyJSTGEZWGCFLVKP-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(thiophen-2-ylmethyl)urea
CID 95982777
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-methylphenoxy)acetamide
CID 90497022
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-ethoxyphenoxy)acetamide
CID 90497058
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 71781727
1-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-3-(naphthalen-1-ylmethyl)urea
CID 95982791
N-[(2S)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-N'-propan-2-yloxamide
CID 95982762
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-N'-(2-methoxyphenyl)oxamide
CID 90497186
N-[(2S)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-2-oxoimidazolidine-1-carboxamide
CID 99873674
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-2,5-dimethylbenzamide
CID 90496997
3-cyano-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90496994
N-(2,2-dimethylpropyl)-3-phenylpropanamide
CID 100801997
4-butoxy-N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)benzamide
CID 90497055

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide (CID 71781709) is N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide is O=C(CCc1ccccc1)NCC(O)(c1cccs1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide?
The InChIKey is JSTGEZWGCFLVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c20-17(11-8-14-5-2-1-3-6-14)19-13-18(21,15-9-10-15)16-7-4-12-22-16/h1-7,12,15,21H,8-11,13H2,(H,19,20).
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide?
N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide has a molecular weight of 315.44 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl)-3-phenylpropanamide is sourced from PubChem (CID 71781709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).