N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide

C21H21NO2S — CID 95982810

IUPACN-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide
SMILESC[C@](O)(CNC(=O)Cc1cccs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H21NO2S/c1-21(24,15-22-20(23)14-19-8-5-13-25-19)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-13,24H,14-15H2,1H3,(H,22,23)/t21-/m0/s1
InChIKeyFBSPEIQQMCZYDQ-NRFANRHFSA-N
MW351.47 g/mol
LogP3.98
Rot. Bonds6

About N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide

N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide (PubChem CID 95982810) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide
PubChem CID95982810
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC NameN-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide
SMILESC[C@](O)(CNC(=O)Cc1cccs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H21NO2S/c1-21(24,15-22-20(23)14-19-8-5-13-25-19)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-13,24H,14-15H2,1H3,(H,22,23)/t21-/m0/s1
InChIKeyFBSPEIQQMCZYDQ-NRFANRHFSA-N
XLogP3.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-2-Thiophen-2-yl-cyclopropanecarboxylic acid [(R)-2-hydroxy-1-(4'-methyl-biphenyl-4-yl)-ethyl]-amide
CID 51348522
trans-(1S,2S)-N-[(1R)-1-[4-(4-ethylphenyl)phenyl]-2-hydroxyethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 51348365
trans-(1R,2R)-N-[(1R)-2-hydroxy-1-[4-(4-methylphenyl)phenyl]ethyl]-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 51348370
Ammonium, dimethyl(2-(alpha-hydroxy-N-methyl-alpha-phenyl-2-thiopheneacetamido)ethyl)phenethyl-, bromide
CID 33278
Ammonium, (2-(alpha-hydroxy-N-methyl-alpha-phenyl-2-thiopheneacetamido)ethyl)trimethyl-, bromide
CID 33280
Ammonium, diethyl(2-(alpha-hydroxy-N-methyl-alpha-phenyl-2-thiopheneacetamido)ethyl)methyl-, bromide
CID 33282
Ammonium, diethyl(2-(alpha-hydroxy-alpha-phenyl-2-thiopheneacetamido)ethyl)methyl-, bromide
CID 33284
2-Thiopheneacetamide, alpha-hydroxy-N-methyl-N-(2-methylphenethylaminoethyl)-alpha-phenyl-, hydrochloride
CID 212758
Piperidinium, 1-(2-(alpha-hydroxy-N-methyl-alpha-phenyl-2-thiopheneacetamido)ethyl)-1-methyl-, bromide
CID 213295
2-Thiopheneacetamide, N-(2-dimethylaminoethyl)-alpha-hydroxy-N-methyl-alpha-phenyl-, hydrochloride
CID 216099
2-Thiopheneacetamide, N-(2-diethylaminoethyl)-alpha-hydroxy-N-methyl-alpha-phenyl-, hydrochloride
CID 216103
2-Thiopheneacetamide, N-(2-diethylaminoethyl)-alpha-hydroxy-alpha-phenyl-, hydrochloride
CID 216105

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide (CID 95982810) is N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide is C[C@](O)(CNC(=O)Cc1cccs1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide?
The InChIKey is FBSPEIQQMCZYDQ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-21(24,15-22-20(23)14-19-8-5-13-25-19)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-13,24H,14-15H2,1H3,(H,22,23)/t21-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide?
N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide has a molecular weight of 351.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 95982810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).