N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide

C24H21NO2S — CID 100724969

IUPACN-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NC[C@H](O)c1csc2ccccc12
InChIInChI=1S/C24H21NO2S/c26-22(21-16-28-23-9-5-4-8-20(21)23)15-25-24(27)14-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13,16,22,26H,14-15H2,(H,25,27)/t22-/m0/s1
InChIKeyMTVWLKQCZQWVKO-QFIPXVFZSA-N
MW387.50 g/mol
LogP4.96
Rot. Bonds6

About N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide

N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide (PubChem CID 100724969) has the molecular formula C24H21NO2S and a molecular weight of 387.50 g/mol. Its IUPAC name is N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide
PubChem CID100724969
Molecular FormulaC24H21NO2S
Molecular Weight387.50 g/mol
Exact Mass387.13
IUPAC NameN-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NC[C@H](O)c1csc2ccccc12
InChIInChI=1S/C24H21NO2S/c26-22(21-16-28-23-9-5-4-8-20(21)23)15-25-24(27)14-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13,16,22,26H,14-15H2,(H,25,27)/t22-/m0/s1
InChIKeyMTVWLKQCZQWVKO-QFIPXVFZSA-N
XLogP4.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Benzothiophen-3-yl)-2-(dibenzylamino)ethan-1-ol--hydrogen chloride (1/1)
CID 23802
(4R,5R)-5-((S)-Benzo[b]thiophen-3-yl-hydroxy-methyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397947
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 56765456
N-(2-hydroxy-2-(thiophen-2-yl)ethyl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 76147816
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-3-(2-fluorophenyl)propanamide
CID 86263988
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-2-(trifluoromethyl)benzamide
CID 91630840
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-1-(4-fluorophenyl)cyclopropanecarboxamide
CID 91630852
N-[(R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]3-[p-(trifluoromethyl)phenyl]propionamide
CID 100725346
2-(1-Benzothiophen-3-ylmethylamino)-1-phenylethanol
CID 2826154
N-(2-hydroxy-2-(thiophen-3-yl)ethyl)-2-(m-tolyl)acetamide
CID 52992597
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-4-phenyloxane-4-carboxamide
CID 56764035
N-(2-hydroxy-2-(thiophen-2-yl)ethyl)-2-phenylbutanamide
CID 71782427

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide (CID 100724969) is N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@H](O)c1csc2ccccc12.
What is the InChIKey of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is MTVWLKQCZQWVKO-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H21NO2S/c26-22(21-16-28-23-9-5-4-8-20(21)23)15-25-24(27)14-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-13,16,22,26H,14-15H2,(H,25,27)/t22-/m0/s1.
What are the key properties of N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide?
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 387.50 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 100724969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).