N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide

C18H22N2OS — CID 70779633

IUPACN-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide
SMILESCN(CC1CCN(c2ccccc2)C1)C(=O)Cc1ccsc1
InChIInChI=1S/C18H22N2OS/c1-19(18(21)11-15-8-10-22-14-15)12-16-7-9-20(13-16)17-5-3-2-4-6-17/h2-6,8,10,14,16H,7,9,11-13H2,1H3
InChIKeyGLNXPLSCPZNIAY-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.28
Rot. Bonds5

About N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide

N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide (PubChem CID 70779633) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide
PubChem CID70779633
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide
SMILESCN(CC1CCN(c2ccccc2)C1)C(=O)Cc1ccsc1
InChIInChI=1S/C18H22N2OS/c1-19(18(21)11-15-8-10-22-14-15)12-16-7-9-20(13-16)17-5-3-2-4-6-17/h2-6,8,10,14,16H,7,9,11-13H2,1H3
InChIKeyGLNXPLSCPZNIAY-UHFFFAOYSA-N
XLogP3.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide
CID 91797603
2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 95210396
tert-butyl (3R)-3-[[methyl-(2-thiophen-3-ylacetyl)amino]methyl]piperidine-1-carboxylate
CID 97167266
2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 70778468
N-methyl-1-(4-methylphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 70765652
N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 70739845
N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 70706449
N-methyl-2-(2-methylbenzimidazol-1-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 97191208
N,1-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 96578217
N-methyl-N-[[(2S)-piperidin-2-yl]methyl]-2-thiophen-3-ylacetamide
CID 97164135
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-thiophen-3-ylacetamide
CID 51144825
N-methyl-2-(3-oxopyrido[3,2-b][1,4]oxazin-4-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 97268251

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide (CID 70779633) is N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide is CN(CC1CCN(c2ccccc2)C1)C(=O)Cc1ccsc1.
What is the InChIKey of N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide?
The InChIKey is GLNXPLSCPZNIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-19(18(21)11-15-8-10-22-14-15)12-16-7-9-20(13-16)17-5-3-2-4-6-17/h2-6,8,10,14,16H,7,9,11-13H2,1H3.
What are the key properties of N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide?
N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide has a molecular weight of 314.45 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 70779633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).