2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide

C18H18N2O2S2 — CID 2536154

IUPAC2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc2c(C)cc(SCC(=O)NCc3cccs3)nc2c1
InChIInChI=1S/C18H18N2O2S2/c1-12-8-18(20-16-9-13(22-2)5-6-15(12)16)24-11-17(21)19-10-14-4-3-7-23-14/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyWOGKFNYURGMAOA-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.02
Rot. Bonds6

About 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide

2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 2536154) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID2536154
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC Name2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc2c(C)cc(SCC(=O)NCc3cccs3)nc2c1
InChIInChI=1S/C18H18N2O2S2/c1-12-8-18(20-16-9-13(22-2)5-6-15(12)16)24-11-17(21)19-10-14-4-3-7-23-14/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyWOGKFNYURGMAOA-UHFFFAOYSA-N
XLogP4.02
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 2523123
N'-[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]benzohydrazide
CID 2546662
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2124643
3-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoate
CID 3637014
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 17460556
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 4597948
4-methoxy-N-[5-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 43814601
N-(2-cyano-3-methylbutan-2-yl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetamide
CID 5126350
2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 41242161
ethyl 2-[[2-(7-methoxy-4-methylquinolin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1034114
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8549305
2-[[5-(3-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 4799530

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 2536154) is 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is COc1ccc2c(C)cc(SCC(=O)NCc3cccs3)nc2c1.
What is the InChIKey of 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is WOGKFNYURGMAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-12-8-18(20-16-9-13(22-2)5-6-15(12)16)24-11-17(21)19-10-14-4-3-7-23-14/h3-9H,10-11H2,1-2H3,(H,19,21).
What are the key properties of 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 358.49 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 2536154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).