2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

C18H26N4O3S2 — CID 56578799

IUPAC2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESO=C(CN1CCCC1C(=O)N1CCSCC1)NC(=O)NCCc1cccs1
InChIInChI=1S/C18H26N4O3S2/c23-16(20-18(25)19-6-5-14-3-2-10-27-14)13-22-7-1-4-15(22)17(24)21-8-11-26-12-9-21/h2-3,10,15H,1,4-9,11-13H2,(H2,19,20,23,25)
InChIKeyRQIOZULQPVFSJM-UHFFFAOYSA-N
MW410.57 g/mol
LogP1.16
Rot. Bonds6

About 2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (PubChem CID 56578799) has the molecular formula C18H26N4O3S2 and a molecular weight of 410.57 g/mol. Its IUPAC name is 2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
PubChem CID56578799
Molecular FormulaC18H26N4O3S2
Molecular Weight410.57 g/mol
Exact Mass410.14
IUPAC Name2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESO=C(CN1CCCC1C(=O)N1CCSCC1)NC(=O)NCCc1cccs1
InChIInChI=1S/C18H26N4O3S2/c23-16(20-18(25)19-6-5-14-3-2-10-27-14)13-22-7-1-4-15(22)17(24)21-8-11-26-12-9-21/h2-3,10,15H,1,4-9,11-13H2,(H2,19,20,23,25)
InChIKeyRQIOZULQPVFSJM-UHFFFAOYSA-N
XLogP1.16
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-thiophen-2-ylethylcarbamoyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 55703418
2-(4-acetyl-1,4-diazepan-1-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27133290
2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 95342533
N-[2-(4-ethoxyphenoxy)ethyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 56542058
2-(2,6-dimethylmorpholin-4-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 51202772
2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 95981495
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446321
N-(1,3,4-thiadiazol-2-yl)-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 56805329
2-[2-(hydroxymethyl)azepan-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 116637722
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 18088940
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 30415975
N-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 47104744

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The IUPAC name of 2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (CID 56578799) is 2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The canonical SMILES for 2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is O=C(CN1CCCC1C(=O)N1CCSCC1)NC(=O)NCCc1cccs1.
What is the InChIKey of 2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The InChIKey is RQIOZULQPVFSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S2/c23-16(20-18(25)19-6-5-14-3-2-10-27-14)13-22-7-1-4-15(22)17(24)21-8-11-26-12-9-21/h2-3,10,15H,1,4-9,11-13H2,(H2,19,20,23,25).
What are the key properties of 2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide has a molecular weight of 410.57 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is sourced from PubChem (CID 56578799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).