2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide

C19H22N2O2S — CID 97220298

IUPAC2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide
SMILESO=C(CSc1ccccc1O)NC[C@@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C19H22N2O2S/c22-17-8-4-5-9-18(17)24-14-19(23)20-12-15-10-11-21(13-15)16-6-2-1-3-7-16/h1-9,15,22H,10-14H2,(H,20,23)/t15-/m0/s1
InChIKeyCSCVERDCMFNHOI-HNNXBMFYSA-N
MW342.46 g/mol
LogP3.13
Rot. Bonds6

About 2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide

2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide (PubChem CID 97220298) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide
PubChem CID97220298
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide
SMILESO=C(CSc1ccccc1O)NC[C@@H]1CCN(c2ccccc2)C1
InChIInChI=1S/C19H22N2O2S/c22-17-8-4-5-9-18(17)24-14-19(23)20-12-15-10-11-21(13-15)16-6-2-1-3-7-16/h1-9,15,22H,10-14H2,(H,20,23)/t15-/m0/s1
InChIKeyCSCVERDCMFNHOI-HNNXBMFYSA-N
XLogP3.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-2-hydroxy-1-phenylethyl]-3-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 95638289
2-[(4-methylphenyl)methylsulfanyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 55621850
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 55652148
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 119854864
2-[(1S)-cyclopent-2-en-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 51939102
2-[(2R)-2-phenylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 124786505
3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 120612518
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-2-[(2R)-2-propan-2-ylpyrrolidin-1-yl]acetamide
CID 95143982
ethyl N-[(1-phenylpyrrolidin-3-yl)methyl]carbamate
CID 110640322
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
(2S)-2-methylsulfonyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]propanamide
CID 94166556

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of 2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide (CID 97220298) is 2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide is O=C(CSc1ccccc1O)NC[C@@H]1CCN(c2ccccc2)C1.
What is the InChIKey of 2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
The InChIKey is CSCVERDCMFNHOI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c22-17-8-4-5-9-18(17)24-14-19(23)20-12-15-10-11-21(13-15)16-6-2-1-3-7-16/h1-9,15,22H,10-14H2,(H,20,23)/t15-/m0/s1.
What are the key properties of 2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide?
2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide has a molecular weight of 342.46 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 97220298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).