N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride

C19H25ClN2O2S — CID 119816686

IUPACN-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)N(Cc1ccccc1)CC(O)c1cccs1
InChIInChI=1S/C19H24N2O2S.ClH/c22-17(18-9-5-11-24-18)14-21(13-15-6-2-1-3-7-15)19(23)12-16-8-4-10-20-16;/h1-3,5-7,9,11,16-17,20,22H,4,8,10,12-14H2;1H
InChIKeySJYKFGYHVDXCKA-UHFFFAOYSA-N
MW380.94 g/mol
LogP3.37
Rot. Bonds7

About N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride

N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119816686) has the molecular formula C19H25ClN2O2S and a molecular weight of 380.94 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119816686
Molecular FormulaC19H25ClN2O2S
Molecular Weight380.94 g/mol
Exact Mass380.13
IUPAC NameN-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)N(Cc1ccccc1)CC(O)c1cccs1
InChIInChI=1S/C19H24N2O2S.ClH/c22-17(18-9-5-11-24-18)14-21(13-15-6-2-1-3-7-15)19(23)12-16-8-4-10-20-16;/h1-3,5-7,9,11,16-17,20,22H,4,8,10,12-14H2;1H
InChIKeySJYKFGYHVDXCKA-UHFFFAOYSA-N
XLogP3.37
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.94
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(2-hydroxy-2-thiophen-3-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119821295
N-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119783040
N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-3-piperidin-4-ylbutanamide
CID 119816685
methyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate
CID 61366041
3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119816672
N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119752527
3-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)cyclohexane-1-carboxamide
CID 119816673
(2S)-2-amino-N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)propanamide;hydrochloride
CID 119342483
benzyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658752
benzyl-[[(2R)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658800
N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide
CID 119752528
(3S)-N-benzyl-N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]oxolane-3-carboxamide
CID 97054048

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119816686) is N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride is Cl.O=C(CC1CCCN1)N(Cc1ccccc1)CC(O)c1cccs1.
What is the InChIKey of N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is SJYKFGYHVDXCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S.ClH/c22-17(18-9-5-11-24-18)14-21(13-15-6-2-1-3-7-15)19(23)12-16-8-4-10-20-16;/h1-3,5-7,9,11,16-17,20,22H,4,8,10,12-14H2;1H.
What are the key properties of N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 380.94 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxy-2-thiophen-2-ylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119816686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).