N-(benzylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide

C18H21N3O2S — CID 25398053

IUPACN-(benzylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H]1c1cccs1)NC(=O)NCc1ccccc1
InChIInChI=1S/C18H21N3O2S/c22-17(20-18(23)19-12-14-6-2-1-3-7-14)13-21-10-4-8-15(21)16-9-5-11-24-16/h1-3,5-7,9,11,15H,4,8,10,12-13H2,(H2,19,20,22,23)/t15-/m0/s1
InChIKeyDRYFMCLLUXJFQL-HNNXBMFYSA-N
MW343.45 g/mol
LogP2.91
Rot. Bonds5

About N-(benzylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide

N-(benzylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide (PubChem CID 25398053) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
PubChem CID25398053
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(benzylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H]1c1cccs1)NC(=O)NCc1ccccc1
InChIInChI=1S/C18H21N3O2S/c22-17(20-18(23)19-12-14-6-2-1-3-7-14)13-21-10-4-8-15(21)16-9-5-11-24-16/h1-3,5-7,9,11,15H,4,8,10,12-13H2,(H2,19,20,22,23)/t15-/m0/s1
InChIKeyDRYFMCLLUXJFQL-HNNXBMFYSA-N
XLogP2.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(ethylcarbamoyl)-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 47104744
N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446683
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-(benzylcarbamoyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 26648081
(2R)-N-benzyl-2-thiophen-2-ylazepane-1-carboxamide
CID 92503180
N-(2-phenylethyl)-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide
CID 41184047
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2-(2-thiophen-2-ylpyrrolidin-1-yl)acetamide
CID 17423661
N-[(2-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446395
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-[(1R)-1-naphthalen-1-ylethyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 11929315

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide (CID 25398053) is N-(benzylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide is O=C(CN1CCC[C@H]1c1cccs1)NC(=O)NCc1ccccc1.
What is the InChIKey of N-(benzylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
The InChIKey is DRYFMCLLUXJFQL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c22-17(20-18(23)19-12-14-6-2-1-3-7-14)13-21-10-4-8-15(21)16-9-5-11-24-16/h1-3,5-7,9,11,15H,4,8,10,12-13H2,(H2,19,20,22,23)/t15-/m0/s1.
What are the key properties of N-(benzylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
N-(benzylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide has a molecular weight of 343.45 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 25398053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).