3-[hydroxy-(5-methyl-4-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one

C23H23NO2S — CID 69397172

IUPAC3-[hydroxy-(5-methyl-4-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
SMILESCc1sc(C(O)C2C(=O)N(C)CC2c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C23H23NO2S/c1-15-18(16-9-5-3-6-10-16)13-20(27-15)22(25)21-19(14-24(2)23(21)26)17-11-7-4-8-12-17/h3-13,19,21-22,25H,14H2,1-2H3
InChIKeyAKMNBGLQKIYYDB-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.63
Rot. Bonds4

About 3-[hydroxy-(5-methyl-4-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one

3-[hydroxy-(5-methyl-4-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one (PubChem CID 69397172) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is 3-[hydroxy-(5-methyl-4-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[hydroxy-(5-methyl-4-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
PubChem CID69397172
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC Name3-[hydroxy-(5-methyl-4-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
SMILESCc1sc(C(O)C2C(=O)N(C)CC2c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C23H23NO2S/c1-15-18(16-9-5-3-6-10-16)13-20(27-15)22(25)21-19(14-24(2)23(21)26)17-11-7-4-8-12-17/h3-13,19,21-22,25H,14H2,1-2H3
InChIKeyAKMNBGLQKIYYDB-UHFFFAOYSA-N
XLogP4.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-3-[(S)-hydroxy-(3-hydroxyphenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 139680858
(3R,4S)-3-[3-hydroxy-5-(hydroxymethyl)phenyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 18633094
(4R,5R)-5-[[5-(3-aminophenyl)thiophen-2-yl]-hydroxymethyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 66708859
5-[hydroxy-(5-pyridin-3-ylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 22677672
(3S,4S)-3-[2-(2,3-difluorophenyl)acetyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 158173825
(4R,5R)-5-[hydroxy-(5-pyridin-3-ylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one;hydrochloride
CID 66709280
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone;hydrochloride
CID 120750309
3-(5-methyl-4-phenylthiophen-2-yl)-3-oxopropanenitrile
CID 154582063
(1-methyl-3-phenylpyrrolidin-2-yl)-(5-pyridin-3-ylthiophen-2-yl)methanol
CID 123577001
(4S)-1-methyl-4-phenylpyrrolidin-2-one
CID 67575934
(1R,2R,4S,5S,6S,8R)-3-methyl-2,4,6,8-tetraphenyl-3-azabicyclo[3.3.1]nonan-9-one
CID 98127168
5-[(S)-hydroxy-[(2R,3R)-1-methyl-5-oxo-3-phenylpyrrolidin-2-yl]methyl]-N-phenylthiophene-2-carboxamide
CID 86587928

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy-(5-methyl-4-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one?
The IUPAC name of 3-[hydroxy-(5-methyl-4-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one (CID 69397172) is 3-[hydroxy-(5-methyl-4-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-[hydroxy-(5-methyl-4-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one?
The canonical SMILES for 3-[hydroxy-(5-methyl-4-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one is Cc1sc(C(O)C2C(=O)N(C)CC2c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 3-[hydroxy-(5-methyl-4-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one?
The InChIKey is AKMNBGLQKIYYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-15-18(16-9-5-3-6-10-16)13-20(27-15)22(25)21-19(14-24(2)23(21)26)17-11-7-4-8-12-17/h3-13,19,21-22,25H,14H2,1-2H3.
What are the key properties of 3-[hydroxy-(5-methyl-4-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one?
3-[hydroxy-(5-methyl-4-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one has a molecular weight of 377.51 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy-(5-methyl-4-phenylthiophen-2-yl)methyl]-1-methyl-4-phenylpyrrolidin-2-one is sourced from PubChem (CID 69397172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).