N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride

C20H27ClN2OS — CID 119691858

IUPACN-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)CC2CCCN2)s1.Cl
InChIInChI=1S/C20H26N2OS.ClH/c1-16-9-10-19(24-16)15-22(13-11-17-6-3-2-4-7-17)20(23)14-18-8-5-12-21-18;/h2-4,6-7,9-10,18,21H,5,8,11-15H2,1H3;1H
InChIKeyMEAMBHYIVCXBAQ-UHFFFAOYSA-N
MW378.97 g/mol
LogP4.19
Rot. Bonds7

About N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119691858) has the molecular formula C20H27ClN2OS and a molecular weight of 378.97 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119691858
Molecular FormulaC20H27ClN2OS
Molecular Weight378.97 g/mol
Exact Mass378.15
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCc1ccc(CN(CCc2ccccc2)C(=O)CC2CCCN2)s1.Cl
InChIInChI=1S/C20H26N2OS.ClH/c1-16-9-10-19(24-16)15-22(13-11-17-6-3-2-4-7-17)20(23)14-18-8-5-12-21-18;/h2-4,6-7,9-10,18,21H,5,8,11-15H2,1H3;1H
InChIKeyMEAMBHYIVCXBAQ-UHFFFAOYSA-N
XLogP4.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.97
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide
CID 61365250
4-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)pentanamide;hydrochloride
CID 120559324
N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119752527
3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119691845
N-benzyl-N-(4-methoxybutyl)-2-pyrrolidin-2-ylacetamide
CID 119752528
N-(2-amino-2-oxoethyl)-N-benzyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119783040
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-methylthiophen-2-yl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119730268
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[2-[(5-methylthiophen-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]azanium
CID 8911506
4-amino-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)butanamide;hydrochloride
CID 120587303
methyl 2-[benzyl-(2-pyrrolidin-2-ylacetyl)amino]acetate
CID 61366041
N-[(5-chlorothiophen-2-yl)methyl]-N-prop-2-enyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119688630
N-[(4-methylphenyl)methyl]-N-propyl-2-pyrrolidin-2-ylacetamide
CID 61365434

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119691858) is N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride is Cc1ccc(CN(CCc2ccccc2)C(=O)CC2CCCN2)s1.Cl.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is MEAMBHYIVCXBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS.ClH/c1-16-9-10-19(24-16)15-22(13-11-17-6-3-2-4-7-17)20(23)14-18-8-5-12-21-18;/h2-4,6-7,9-10,18,21H,5,8,11-15H2,1H3;1H.
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 378.97 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119691858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).