2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide

C14H22N2O2S — CID 115647928

IUPAC2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN1CCC(CCO)C1)c1cccs1
InChIInChI=1S/C14H22N2O2S/c1-11(13-3-2-8-19-13)15-14(18)10-16-6-4-12(9-16)5-7-17/h2-3,8,11-12,17H,4-7,9-10H2,1H3,(H,15,18)
InChIKeyUOTAHYUZOAVMCZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.63
Rot. Bonds6

About 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide

2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide (PubChem CID 115647928) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
PubChem CID115647928
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
SMILESCC(NC(=O)CN1CCC(CCO)C1)c1cccs1
InChIInChI=1S/C14H22N2O2S/c1-11(13-3-2-8-19-13)15-14(18)10-16-6-4-12(9-16)5-7-17/h2-3,8,11-12,17H,4-7,9-10H2,1H3,(H,15,18)
InChIKeyUOTAHYUZOAVMCZ-UHFFFAOYSA-N
XLogP1.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 80546360
2-(4-benzylpiperidin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 16566117
ethyl 1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperidine-4-carboxylate
CID 42884527
2-(3,5-dimethylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 63872915
2-[1-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]azetidin-3-yl]propanoic acid
CID 116684068
N-butan-2-yl-2-[4-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]piperazin-1-yl]acetamide
CID 134045399
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 17487495
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 115647804
2-[4-(2-hydroxyethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 121200085
ethyl 4-[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]piperazine-1-carboxylate
CID 8544148
2-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 102683153
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 146124572

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide (CID 115647928) is 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide is CC(NC(=O)CN1CCC(CCO)C1)c1cccs1.
What is the InChIKey of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide?
The InChIKey is UOTAHYUZOAVMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-11(13-3-2-8-19-13)15-14(18)10-16-6-4-12(9-16)5-7-17/h2-3,8,11-12,17H,4-7,9-10H2,1H3,(H,15,18).
What are the key properties of 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide?
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide has a molecular weight of 282.41 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 115647928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).