(2S)-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide

C16H18N2OS — CID 94452171

IUPAC(2S)-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
SMILESNC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C16H18N2OS/c17-16(19)15(12-5-2-1-3-6-12)18-9-4-7-14(18)13-8-10-20-11-13/h1-3,5-6,8,10-11,14-15H,4,7,9H2,(H2,17,19)/t14-,15+/m1/s1
InChIKeyUZFZUXBOOWTFJR-CABCVRRESA-N
MW286.40 g/mol
LogP3.11
Rot. Bonds4

About (2S)-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide

(2S)-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide (PubChem CID 94452171) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
PubChem CID94452171
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name(2S)-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
SMILESNC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C16H18N2OS/c17-16(19)15(12-5-2-1-3-6-12)18-9-4-7-14(18)13-8-10-20-11-13/h1-3,5-6,8,10-11,14-15H,4,7,9H2,(H2,17,19)/t14-,15+/m1/s1
InChIKeyUZFZUXBOOWTFJR-CABCVRRESA-N
XLogP3.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-carbamoyl-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94452155
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 124838744
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
(2R)-N-carbamoyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]propanamide
CID 124860071
methyl (2S)-2-phenyl-2-[(2R)-2-phenylpyrrolidin-1-yl]acetate
CID 102206721
2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-phenylacetamide
CID 78835980
(2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine
CID 124500963
(2S)-2-phenyl-2-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95610209
cis-(1R,2S)-2-[(2R)-2-thiophen-3-ylpyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124675357
(2R)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenylacetamide
CID 25384402
N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide
CID 51124417
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide?
The IUPAC name of (2S)-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide (CID 94452171) is (2S)-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for (2S)-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide?
The canonical SMILES for (2S)-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide is NC(=O)[C@H](c1ccccc1)N1CCC[C@@H]1c1ccsc1.
What is the InChIKey of (2S)-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide?
The InChIKey is UZFZUXBOOWTFJR-CABCVRRESA-N. The full InChI is InChI=1S/C16H18N2OS/c17-16(19)15(12-5-2-1-3-6-12)18-9-4-7-14(18)13-8-10-20-11-13/h1-3,5-6,8,10-11,14-15H,4,7,9H2,(H2,17,19)/t14-,15+/m1/s1.
What are the key properties of (2S)-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide?
(2S)-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide has a molecular weight of 286.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 94452171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).