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

C17H25N3O2S — CID 9208528

IUPACN-(cyclohexylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H]1c1cccs1)NC(=O)NC1CCCCC1
InChIInChI=1S/C17H25N3O2S/c21-16(19-17(22)18-13-6-2-1-3-7-13)12-20-10-4-8-14(20)15-9-5-11-23-15/h5,9,11,13-14H,1-4,6-8,10,12H2,(H2,18,19,21,22)/t14-/m0/s1
InChIKeyNNMWQCMURSEAHJ-AWEZNQCLSA-N
MW335.47 g/mol
LogP3.04
Rot. Bonds4

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

N-(cyclohexylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide (PubChem CID 9208528) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
PubChem CID9208528
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-(cyclohexylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC[C@H]1c1cccs1)NC(=O)NC1CCCCC1
InChIInChI=1S/C17H25N3O2S/c21-16(19-17(22)18-13-6-2-1-3-7-13)12-20-10-4-8-14(20)15-9-5-11-23-15/h5,9,11,13-14H,1-4,6-8,10,12H2,(H2,18,19,21,22)/t14-/m0/s1
InChIKeyNNMWQCMURSEAHJ-AWEZNQCLSA-N
XLogP3.04
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.04
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-(benzylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 25398053
N-cyclopentyl-2-[[2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetyl]amino]benzamide
CID 9166376
N-cyclopropyl-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 34187335
N-[2-(cyclohexen-1-yl)ethylcarbamoyl]-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446321
2-[2-(3-bromophenyl)pyrrolidin-1-yl]-N-(cyclopentylcarbamoyl)acetamide
CID 55839341
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-(cyclohexylcarbamoyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
CID 47073373
N-(cyclopentylcarbamoyl)-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 46671211
N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446683
N-(cyclohexylcarbamoyl)-2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]acetamide
CID 9444099

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide (CID 9208528) is N-(cyclohexylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide is O=C(CN1CCC[C@H]1c1cccs1)NC(=O)NC1CCCCC1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
The InChIKey is NNMWQCMURSEAHJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O2S/c21-16(19-17(22)18-13-6-2-1-3-7-13)12-20-10-4-8-14(20)15-9-5-11-23-15/h5,9,11,13-14H,1-4,6-8,10,12H2,(H2,18,19,21,22)/t14-/m0/s1.
What are the key properties of N-(cyclohexylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide?
N-(cyclohexylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide has a molecular weight of 335.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 9208528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).