N-(4-ethoxyphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

C20H20N2O2S — CID 1135053

IUPACN-(4-ethoxyphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2cc(C)c3ccccc3n2)cc1
InChIInChI=1S/C20H20N2O2S/c1-3-24-16-10-8-15(9-11-16)21-19(23)13-25-20-12-14(2)17-6-4-5-7-18(17)22-20/h4-12H,3,13H2,1-2H3,(H,21,23)
InChIKeyCKVCYEYKJNGASH-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.67
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

N-(4-ethoxyphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 1135053) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID1135053
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-(4-ethoxyphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2cc(C)c3ccccc3n2)cc1
InChIInChI=1S/C20H20N2O2S/c1-3-24-16-10-8-15(9-11-16)21-19(23)13-25-20-12-14(2)17-6-4-5-7-18(17)22-20/h4-12H,3,13H2,1-2H3,(H,21,23)
InChIKeyCKVCYEYKJNGASH-UHFFFAOYSA-N
XLogP4.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (CID 1135053) is N-(4-ethoxyphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is CCOc1ccc(NC(=O)CSc2cc(C)c3ccccc3n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is CKVCYEYKJNGASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-3-24-16-10-8-15(9-11-16)21-19(23)13-25-20-12-14(2)17-6-4-5-7-18(17)22-20/h4-12H,3,13H2,1-2H3,(H,21,23).
What are the key properties of N-(4-ethoxyphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
N-(4-ethoxyphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 352.46 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 1135053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).