N-(2-thiophen-2-ylethylcarbamoyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide

C17H21N3O2S2 — CID 55703418

IUPACN-(2-thiophen-2-ylethylcarbamoyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1c1ccsc1)NC(=O)NCCc1cccs1
InChIInChI=1S/C17H21N3O2S2/c21-16(19-17(22)18-7-5-14-3-2-9-24-14)11-20-8-1-4-15(20)13-6-10-23-12-13/h2-3,6,9-10,12,15H,1,4-5,7-8,11H2,(H2,18,19,21,22)
InChIKeyVDWKSXLXHDYARK-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.02
Rot. Bonds6

About N-(2-thiophen-2-ylethylcarbamoyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide

N-(2-thiophen-2-ylethylcarbamoyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide (PubChem CID 55703418) has the molecular formula C17H21N3O2S2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethylcarbamoyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethylcarbamoyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
PubChem CID55703418
Molecular FormulaC17H21N3O2S2
Molecular Weight363.51 g/mol
Exact Mass363.11
IUPAC NameN-(2-thiophen-2-ylethylcarbamoyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
SMILESO=C(CN1CCCC1c1ccsc1)NC(=O)NCCc1cccs1
InChIInChI=1S/C17H21N3O2S2/c21-16(19-17(22)18-7-5-14-3-2-9-24-14)11-20-8-1-4-15(20)13-6-10-23-12-13/h2-3,6,9-10,12,15H,1,4-5,7-8,11H2,(H2,18,19,21,22)
InChIKeyVDWKSXLXHDYARK-UHFFFAOYSA-N
XLogP3.02
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 56578799
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446321
2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 95342533
N-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 47104744
2-(2,6-dimethylmorpholin-4-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 51202772
N-(benzylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 25398053
2-(2-phenylpyrrolidin-1-yl)-N-(propylcarbamoyl)acetamide
CID 18137773
2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 95981495
2-[2-(4-methylphenyl)pyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 42946126
2-(4-acetyl-1,4-diazepan-1-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27133290
2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 47012786
2-[2-(hydroxymethyl)azepan-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 116637722

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethylcarbamoyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(2-thiophen-2-ylethylcarbamoyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide (CID 55703418) is N-(2-thiophen-2-ylethylcarbamoyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(2-thiophen-2-ylethylcarbamoyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(2-thiophen-2-ylethylcarbamoyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide is O=C(CN1CCCC1c1ccsc1)NC(=O)NCCc1cccs1.
What is the InChIKey of N-(2-thiophen-2-ylethylcarbamoyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
The InChIKey is VDWKSXLXHDYARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S2/c21-16(19-17(22)18-7-5-14-3-2-9-24-14)11-20-8-1-4-15(20)13-6-10-23-12-13/h2-3,6,9-10,12,15H,1,4-5,7-8,11H2,(H2,18,19,21,22).
What are the key properties of N-(2-thiophen-2-ylethylcarbamoyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
N-(2-thiophen-2-ylethylcarbamoyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide has a molecular weight of 363.51 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethylcarbamoyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 55703418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).