2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide

C20H24N2O2S — CID 41269116

IUPAC2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCOc1cccc([C@H]2CCCN2CC(=O)Nc2cccc(SC)c2)c1
InChIInChI=1S/C20H24N2O2S/c1-24-17-8-3-6-15(12-17)19-10-5-11-22(19)14-20(23)21-16-7-4-9-18(13-16)25-2/h3-4,6-9,12-13,19H,5,10-11,14H2,1-2H3,(H,21,23)/t19-/m1/s1
InChIKeyBZPZHOIDUQFLKF-LJQANCHMSA-N
MW356.49 g/mol
LogP4.19
Rot. Bonds6

About 2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide

2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 41269116) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID41269116
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCOc1cccc([C@H]2CCCN2CC(=O)Nc2cccc(SC)c2)c1
InChIInChI=1S/C20H24N2O2S/c1-24-17-8-3-6-15(12-17)19-10-5-11-22(19)14-20(23)21-16-7-4-9-18(13-16)25-2/h3-4,6-9,12-13,19H,5,10-11,14H2,1-2H3,(H,21,23)/t19-/m1/s1
InChIKeyBZPZHOIDUQFLKF-LJQANCHMSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313328
N-(4-bromophenyl)-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 55498802
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 24596121
N-(5-chloro-2-fluorophenyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41416275
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 62046860
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17495586
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41415749
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51474720
N-[2-(difluoromethoxy)phenyl]-2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51313371
2-[(2R)-2-(methylsulfamoylmethyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 95973729
2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 62654790

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide (CID 41269116) is 2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide is COc1cccc([C@H]2CCCN2CC(=O)Nc2cccc(SC)c2)c1.
What is the InChIKey of 2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is BZPZHOIDUQFLKF-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-24-17-8-3-6-15(12-17)19-10-5-11-22(19)14-20(23)21-16-7-4-9-18(13-16)25-2/h3-4,6-9,12-13,19H,5,10-11,14H2,1-2H3,(H,21,23)/t19-/m1/s1.
What are the key properties of 2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 356.49 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 41269116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).