2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

C18H27N3O2S — CID 95342533

IUPAC2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)NCCc1cccs1
InChIInChI=1S/C18H27N3O2S/c1-14(22)21-11-3-7-17(21)16-6-2-10-20(16)13-18(23)19-9-8-15-5-4-12-24-15/h4-5,12,16-17H,2-3,6-11,13H2,1H3,(H,19,23)/t16-,17-/m0/s1
InChIKeyJZNHMDJCNKTNSW-IRXDYDNUSA-N
MW349.50 g/mol
LogP1.88
Rot. Bonds6

About 2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 95342533) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID95342533
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESCC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)NCCc1cccs1
InChIInChI=1S/C18H27N3O2S/c1-14(22)21-11-3-7-17(21)16-6-2-10-20(16)13-18(23)19-9-8-15-5-4-12-24-15/h4-5,12,16-17H,2-3,6-11,13H2,1H3,(H,19,23)/t16-,17-/m0/s1
InChIKeyJZNHMDJCNKTNSW-IRXDYDNUSA-N
XLogP1.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)azepan-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 116637722
2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 56803059
N-(2-thiophen-2-ylethylcarbamoyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 55703418
1-[(2R)-2-[(2R)-1-(2-thiophen-2-ylethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95758507
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 18088940
2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 56578799
5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 129336614
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 81493901
2-(2,5-dimethylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 64980594
2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 71897626
(2R,3R)-2,3-dihydroxy-4-[(2S)-2-(4-methylcycloheptyl)pyrrolidin-1-yl]-4-oxo-N-(2-thiophen-2-ylethyl)butanamide
CID 143153799
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 78942399

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (CID 95342533) is 2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CC(=O)NCCc1cccs1.
What is the InChIKey of 2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is JZNHMDJCNKTNSW-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-14(22)21-11-3-7-17(21)16-6-2-10-20(16)13-18(23)19-9-8-15-5-4-12-24-15/h4-5,12,16-17H,2-3,6-11,13H2,1H3,(H,19,23)/t16-,17-/m0/s1.
What are the key properties of 2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 349.50 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 95342533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).