N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide

C20H25N2OS+ — CID 11944212

IUPACN-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
SMILESO=C(C[NH+]1CCC[C@@H]1c1cccs1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C20H24N2OS/c23-20(14-22-12-4-10-18(22)19-11-5-13-24-19)21-17-9-3-7-15-6-1-2-8-16(15)17/h1-2,5-6,8,11,13,17-18H,3-4,7,9-10,12,14H2,(H,21,23)/p+1/t17-,18-/m1/s1
InChIKeyKPBKAQXLNDMSHV-QZTJIDSGSA-O
MW341.50 g/mol
LogP2.66
Rot. Bonds4

About N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide

N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide (PubChem CID 11944212) has the molecular formula C20H25N2OS+ and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
PubChem CID11944212
Molecular FormulaC20H25N2OS+
Molecular Weight341.50 g/mol
Exact Mass341.17
IUPAC NameN-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
SMILESO=C(C[NH+]1CCC[C@@H]1c1cccs1)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C20H24N2OS/c23-20(14-22-12-4-10-18(22)19-11-5-13-24-19)21-17-9-3-7-15-6-1-2-8-16(15)17/h1-2,5-6,8,11,13,17-18H,3-4,7,9-10,12,14H2,(H,21,23)/p+1/t17-,18-/m1/s1
InChIKeyKPBKAQXLNDMSHV-QZTJIDSGSA-O
XLogP2.66
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 11944213
N-(2-phenylethyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 9317430
N-(1-adamantyl)-2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 9446384
N-(2-methylsulfanylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 9446614
2-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9446648
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2409447
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-thiophen-3-ylacetamide
CID 7688469
N-(2-phenoxyphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 9360271
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 11944178
2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7819453
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 166244952

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide?
The IUPAC name of N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide (CID 11944212) is N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide is O=C(C[NH+]1CCC[C@@H]1c1cccs1)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide?
The InChIKey is KPBKAQXLNDMSHV-QZTJIDSGSA-O. The full InChI is InChI=1S/C20H24N2OS/c23-20(14-22-12-4-10-18(22)19-11-5-13-24-19)21-17-9-3-7-15-6-1-2-8-16(15)17/h1-2,5-6,8,11,13,17-18H,3-4,7,9-10,12,14H2,(H,21,23)/p+1/t17-,18-/m1/s1.
What are the key properties of N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide?
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide has a molecular weight of 341.50 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 11944212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).