2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide

C22H24N2O3S — CID 3208098

IUPAC2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCc1cc2ccc(OC)cc2nc1SCC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C22H24N2O3S/c1-4-16-11-17-7-10-19(27-3)12-20(17)24-22(16)28-14-21(25)23-13-15-5-8-18(26-2)9-6-15/h5-12H,4,13-14H2,1-3H3,(H,23,25)
InChIKeyBCHYIFJKACVXPG-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.22
Rot. Bonds8

About 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide

2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 3208098) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID3208098
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC Name2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCCc1cc2ccc(OC)cc2nc1SCC(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C22H24N2O3S/c1-4-16-11-17-7-10-19(27-3)12-20(17)24-22(16)28-14-21(25)23-13-15-5-8-18(26-2)9-6-15/h5-12H,4,13-14H2,1-3H3,(H,23,25)
InChIKeyBCHYIFJKACVXPG-UHFFFAOYSA-N
XLogP4.22
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanylacetyl]cyclohexanecarbohydrazide
CID 3208084
N-[(6-methoxynaphthalen-2-yl)methyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 41287271
2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 2523123
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1348333
N-(3,5-dimethoxyphenyl)-2-(3-ethyl-7-methylquinolin-2-yl)sulfanylacetamide
CID 1440450
2-(3-cyano-6,7-dimethoxyquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 1450788
N-benzyl-2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
CID 3208242
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
CID 30307528
N-benzyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 41320624
N-[(4-chlorophenyl)methyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2610643
N-(2,5-dimethoxyphenyl)-2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
CID 3208256
N-[(4-methoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 17234223

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide (CID 3208098) is 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide is CCc1cc2ccc(OC)cc2nc1SCC(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is BCHYIFJKACVXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-4-16-11-17-7-10-19(27-3)12-20(17)24-22(16)28-14-21(25)23-13-15-5-8-18(26-2)9-6-15/h5-12H,4,13-14H2,1-3H3,(H,23,25).
What are the key properties of 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide?
2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 396.51 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-7-methoxyquinolin-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 3208098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).