2-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]acetamide

C26H33N3OS2 — CID 26356379

IUPAC2-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]acetamide
SMILESCSc1ccc2cc(CN(CCN(C)C)C(=O)CC3CCCC3)c(-c3cccs3)nc2c1
InChIInChI=1S/C26H33N3OS2/c1-28(2)12-13-29(25(30)15-19-7-4-5-8-19)18-21-16-20-10-11-22(31-3)17-23(20)27-26(21)24-9-6-14-32-24/h6,9-11,14,16-17,19H,4-5,7-8,12-13,15,18H2,1-3H3
InChIKeyUYAYRUORZBCZMF-UHFFFAOYSA-N
MW467.70 g/mol
LogP6.16
Rot. Bonds9

About 2-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]acetamide

2-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]acetamide (PubChem CID 26356379) has the molecular formula C26H33N3OS2 and a molecular weight of 467.70 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]acetamide
PubChem CID26356379
Molecular FormulaC26H33N3OS2
Molecular Weight467.70 g/mol
Exact Mass467.21
IUPAC Name2-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]acetamide
SMILESCSc1ccc2cc(CN(CCN(C)C)C(=O)CC3CCCC3)c(-c3cccs3)nc2c1
InChIInChI=1S/C26H33N3OS2/c1-28(2)12-13-29(25(30)15-19-7-4-5-8-19)18-21-16-20-10-11-22(31-3)17-23(20)27-26(21)24-9-6-14-32-24/h6,9-11,14,16-17,19H,4-5,7-8,12-13,15,18H2,1-3H3
InChIKeyUYAYRUORZBCZMF-UHFFFAOYSA-N
XLogP6.16
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.70
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]acetamide with MolForge

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Related Compounds

1-(4-fluorophenyl)-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine
CID 42428742
N-[2-(dimethylamino)ethyl]-3-fluoro-N-[[2-(4-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]benzamide
CID 26339886
1-methoxy-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]propan-2-amine
CID 56856636
N-(3-methoxypropyl)-N-[(6-thiophen-2-yl-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]cyclohexanecarboxamide
CID 42482769
3-(3-methylpyrazol-1-yl)-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 118757755
2,5-dimethyl-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 45222890
2,3-dimethoxy-N-[(7-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125173420
N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
CID 42430371
N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 42420994
2-cyclohexyl-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)acetamide
CID 135106056
N-[[2-(4-chlorophenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 98342964
2-cyclopentyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 17404263

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]acetamide (CID 26356379) is 2-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]acetamide is CSc1ccc2cc(CN(CCN(C)C)C(=O)CC3CCCC3)c(-c3cccs3)nc2c1.
What is the InChIKey of 2-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]acetamide?
The InChIKey is UYAYRUORZBCZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3OS2/c1-28(2)12-13-29(25(30)15-19-7-4-5-8-19)18-21-16-20-10-11-22(31-3)17-23(20)27-26(21)24-9-6-14-32-24/h6,9-11,14,16-17,19H,4-5,7-8,12-13,15,18H2,1-3H3.
What are the key properties of 2-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]acetamide?
2-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]acetamide has a molecular weight of 467.70 g/mol, XLogP of 6.16, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]acetamide is sourced from PubChem (CID 26356379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).