N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide

C27H26N2O2S2 — CID 42430371

IUPACN-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCOc1cccc(-c2nc3cc(SC)ccc3cc2CN(C(=O)Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C27H26N2O2S2/c1-31-23-5-3-4-20(14-23)27-21(13-19-6-9-24(32-2)15-25(19)28-27)16-29(22-7-8-22)26(30)12-18-10-11-33-17-18/h3-6,9-11,13-15,17,22H,7-8,12,16H2,1-2H3
InChIKeyXXQKRFHRKKCDSI-UHFFFAOYSA-N
MW474.65 g/mol
LogP6.43
Rot. Bonds8

About N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide

N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide (PubChem CID 42430371) has the molecular formula C27H26N2O2S2 and a molecular weight of 474.65 g/mol. Its IUPAC name is N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
PubChem CID42430371
Molecular FormulaC27H26N2O2S2
Molecular Weight474.65 g/mol
Exact Mass474.14
IUPAC NameN-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
SMILESCOc1cccc(-c2nc3cc(SC)ccc3cc2CN(C(=O)Cc2ccsc2)C2CC2)c1
InChIInChI=1S/C27H26N2O2S2/c1-31-23-5-3-4-20(14-23)27-21(13-19-6-9-24(32-2)15-25(19)28-27)16-29(22-7-8-22)26(30)12-18-10-11-33-17-18/h3-6,9-11,13-15,17,22H,7-8,12,16H2,1-2H3
InChIKeyXXQKRFHRKKCDSI-UHFFFAOYSA-N
XLogP6.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide with MolForge

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Related Compounds

N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
CID 42277304
N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 42420994
N-cyclopropyl-N-[[2-(2,5-dimethoxyphenyl)-8-methylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide
CID 29087125
N-(furan-2-ylmethyl)-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]propanamide
CID 25327123
ethyl 4-[7-chloro-3-[[cyclopropyl-(2-thiophen-3-ylacetyl)amino]methyl]quinolin-2-yl]piperazine-1-carboxylate
CID 29219099
N-cyclopropyl-N-[[7-fluoro-2-(4-methoxyphenyl)quinolin-3-yl]methyl]-3-methylthiophene-2-carboxamide
CID 42484022
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide
CID 43460875
N-[2-(dimethylamino)ethyl]-3-fluoro-N-[[2-(4-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]benzamide
CID 26339886
N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide
CID 42417365
2-(3-methoxyphenyl)-4-[(4-methylsulfanylphenoxy)methyl]-1,3-thiazole
CID 134051441
N-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
CID 42397899
N-[[6,7-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 42472762

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide (CID 42430371) is N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide is COc1cccc(-c2nc3cc(SC)ccc3cc2CN(C(=O)Cc2ccsc2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide?
The InChIKey is XXQKRFHRKKCDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2S2/c1-31-23-5-3-4-20(14-23)27-21(13-19-6-9-24(32-2)15-25(19)28-27)16-29(22-7-8-22)26(30)12-18-10-11-33-17-18/h3-6,9-11,13-15,17,22H,7-8,12,16H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide?
N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide has a molecular weight of 474.65 g/mol, XLogP of 6.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[2-(3-methoxyphenyl)-7-methylsulfanylquinolin-3-yl]methyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 42430371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).