N-[(1R)-3-oxo-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]-1-thiophen-2-ylpropyl]acetamide

C18H21N3O2S — CID 95124338

IUPACN-[(1R)-3-oxo-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]-1-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)N[C@H](CC(=O)N1CCC[C@@H]1c1ccncc1)c1cccs1
InChIInChI=1S/C18H21N3O2S/c1-13(22)20-15(17-5-3-11-24-17)12-18(23)21-10-2-4-16(21)14-6-8-19-9-7-14/h3,5-9,11,15-16H,2,4,10,12H2,1H3,(H,20,22)/t15-,16-/m1/s1
InChIKeyAXIQFKDDLFNSMS-HZPDHXFCSA-N
MW343.45 g/mol
LogP3.07
Rot. Bonds5

About N-[(1R)-3-oxo-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]-1-thiophen-2-ylpropyl]acetamide

N-[(1R)-3-oxo-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]-1-thiophen-2-ylpropyl]acetamide (PubChem CID 95124338) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[(1R)-3-oxo-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]-1-thiophen-2-ylpropyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-3-oxo-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]-1-thiophen-2-ylpropyl]acetamide
PubChem CID95124338
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[(1R)-3-oxo-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]-1-thiophen-2-ylpropyl]acetamide
SMILESCC(=O)N[C@H](CC(=O)N1CCC[C@@H]1c1ccncc1)c1cccs1
InChIInChI=1S/C18H21N3O2S/c1-13(22)20-15(17-5-3-11-24-17)12-18(23)21-10-2-4-16(21)14-6-8-19-9-7-14/h3,5-9,11,15-16H,2,4,10,12H2,1H3,(H,20,22)/t15-,16-/m1/s1
InChIKeyAXIQFKDDLFNSMS-HZPDHXFCSA-N
XLogP3.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-3-oxo-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]-1-thiophen-2-ylpropyl]acetamide with MolForge

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Related Compounds

N-[(1S)-3-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 95569624
N-[3-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 51311903
N-[3-(4-methyl-2-phenylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 42931938
tert-butyl (2S)-2-[(2R)-1-[(3R)-3-acetamido-3-thiophen-2-ylpropanoyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 52500324
N-[3-(2-methyl-3-oxopiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 63079022
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 43422177
N-[(1S)-3-oxo-1-thiophen-2-yl-3-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propyl]acetamide
CID 95761364
N-[3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-thiophen-2-ylpropyl]acetamide
CID 46575997
N-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 24513313
N-[3-[2-(3-chlorophenyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide
CID 120802620
(2R)-1-[(3S)-3-(carbamoylamino)-3-thiophen-2-ylpropanoyl]pyrrolidine-2-carboxylic acid
CID 125118766
N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-oxo-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]-1-thiophen-2-ylpropyl]acetamide?
The IUPAC name of N-[(1R)-3-oxo-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]-1-thiophen-2-ylpropyl]acetamide (CID 95124338) is N-[(1R)-3-oxo-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]-1-thiophen-2-ylpropyl]acetamide.
What is the SMILES notation for N-[(1R)-3-oxo-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]-1-thiophen-2-ylpropyl]acetamide?
The canonical SMILES for N-[(1R)-3-oxo-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]-1-thiophen-2-ylpropyl]acetamide is CC(=O)N[C@H](CC(=O)N1CCC[C@@H]1c1ccncc1)c1cccs1.
What is the InChIKey of N-[(1R)-3-oxo-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]-1-thiophen-2-ylpropyl]acetamide?
The InChIKey is AXIQFKDDLFNSMS-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-13(22)20-15(17-5-3-11-24-17)12-18(23)21-10-2-4-16(21)14-6-8-19-9-7-14/h3,5-9,11,15-16H,2,4,10,12H2,1H3,(H,20,22)/t15-,16-/m1/s1.
What are the key properties of N-[(1R)-3-oxo-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]-1-thiophen-2-ylpropyl]acetamide?
N-[(1R)-3-oxo-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]-1-thiophen-2-ylpropyl]acetamide has a molecular weight of 343.45 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-oxo-3-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]-1-thiophen-2-ylpropyl]acetamide is sourced from PubChem (CID 95124338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).