N-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide

C13H19N3O2S — CID 47104744

IUPACN-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
SMILESCCNC(=O)NC(=O)CN1CCCC1c1cccs1
InChIInChI=1S/C13H19N3O2S/c1-2-14-13(18)15-12(17)9-16-7-3-5-10(16)11-6-4-8-19-11/h4,6,8,10H,2-3,5,7,9H2,1H3,(H2,14,15,17,18)
InChIKeyHFEJRVPKOSKRPT-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.73
Rot. Bonds4

About N-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide

N-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide (PubChem CID 47104744) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
PubChem CID47104744
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
SMILESCCNC(=O)NC(=O)CN1CCCC1c1cccs1
InChIInChI=1S/C13H19N3O2S/c1-2-14-13(18)15-12(17)9-16-7-3-5-10(16)11-6-4-8-19-11/h4,6,8,10H,2-3,5,7,9H2,1H3,(H2,14,15,17,18)
InChIKeyHFEJRVPKOSKRPT-UHFFFAOYSA-N
XLogP1.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 25398053
N-(cyclohexylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9208528
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446321
N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446683
N-(2,6-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446407
N-(4-methylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446431
N-(2,3-dimethylphenyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446369
N-[(2-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446395
N-(ethylcarbamoyl)-2-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 41415749
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 11923842
N-(2-methoxyphenyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 17436135
methyl 3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanoate
CID 94488312

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide (CID 47104744) is N-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide is CCNC(=O)NC(=O)CN1CCCC1c1cccs1.
What is the InChIKey of N-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide?
The InChIKey is HFEJRVPKOSKRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-2-14-13(18)15-12(17)9-16-7-3-5-10(16)11-6-4-8-19-11/h4,6,8,10H,2-3,5,7,9H2,1H3,(H2,14,15,17,18).
What are the key properties of N-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide?
N-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide has a molecular weight of 281.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 47104744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).