N-(1-naphthalen-2-ylethyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide

C22H24N2OS — CID 55703547

IUPACN-(1-naphthalen-2-ylethyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
SMILESCC(NC(=O)CN1CCCC1c1ccsc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H24N2OS/c1-16(18-9-8-17-5-2-3-6-19(17)13-18)23-22(25)14-24-11-4-7-21(24)20-10-12-26-15-20/h2-3,5-6,8-10,12-13,15-16,21H,4,7,11,14H2,1H3,(H,23,25)
InChIKeyWVDRIJKMYNFMAS-UHFFFAOYSA-N
MW364.51 g/mol
LogP4.92
Rot. Bonds5

About N-(1-naphthalen-2-ylethyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide

N-(1-naphthalen-2-ylethyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide (PubChem CID 55703547) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is N-(1-naphthalen-2-ylethyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-naphthalen-2-ylethyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
PubChem CID55703547
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC NameN-(1-naphthalen-2-ylethyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
SMILESCC(NC(=O)CN1CCCC1c1ccsc1)c1ccc2ccccc2c1
InChIInChI=1S/C22H24N2OS/c1-16(18-9-8-17-5-2-3-6-19(17)13-18)23-22(25)14-24-11-4-7-21(24)20-10-12-26-15-20/h2-3,5-6,8-10,12-13,15-16,21H,4,7,11,14H2,1H3,(H,23,25)
InChIKeyWVDRIJKMYNFMAS-UHFFFAOYSA-N
XLogP4.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-naphthalen-2-ylethyl]-2-[4,7,10-tris[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 102115111
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 55827722
2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 98482252
2-morpholin-4-yl-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 8903869
(2S)-1-methyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide
CID 90114971
2-(cyclopropylmethylamino)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685956
2-[(2S)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 124739814
methyl 2-[2-(1-naphthalen-2-ylethylamino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 112769331
2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9434707
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 51474720
2-[4,7-bis[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 100946770
2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9033490

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-2-ylethyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(1-naphthalen-2-ylethyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide (CID 55703547) is N-(1-naphthalen-2-ylethyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(1-naphthalen-2-ylethyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(1-naphthalen-2-ylethyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide is CC(NC(=O)CN1CCCC1c1ccsc1)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-naphthalen-2-ylethyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
The InChIKey is WVDRIJKMYNFMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-16(18-9-8-17-5-2-3-6-19(17)13-18)23-22(25)14-24-11-4-7-21(24)20-10-12-26-15-20/h2-3,5-6,8-10,12-13,15-16,21H,4,7,11,14H2,1H3,(H,23,25).
What are the key properties of N-(1-naphthalen-2-ylethyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
N-(1-naphthalen-2-ylethyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide has a molecular weight of 364.51 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-2-ylethyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 55703547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).