N-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide

C21H22N2O4S — CID 3171524

IUPACN-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nc3ccc(OC)cc3cc2C)c1
InChIInChI=1S/C21H22N2O4S/c1-13-9-14-10-15(25-2)5-7-17(14)23-21(13)28-12-20(24)22-18-11-16(26-3)6-8-19(18)27-4/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeyHUJYUFVMHSKTRP-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.30
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide

N-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 3171524) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
PubChem CID3171524
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
SMILESCOc1ccc(OC)c(NC(=O)CSc2nc3ccc(OC)cc3cc2C)c1
InChIInChI=1S/C21H22N2O4S/c1-13-9-14-10-15(25-2)5-7-17(14)23-21(13)28-12-20(24)22-18-11-16(26-3)6-8-19(18)27-4/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeyHUJYUFVMHSKTRP-UHFFFAOYSA-N
XLogP4.30
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(6-ethoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 1134598
2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1450405
N-(4-acetamidophenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide
CID 1176220
N-(2,4-dimethoxyphenyl)-2-[(7-methyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
CID 1173456
2-(3-cyano-5,7-dimethylquinolin-2-yl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 1450272
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
N-(2,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 17434098
N-(2,5-dimethoxyphenyl)-2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetamide
CID 3208256
2-[(8-cyano-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-7-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 1450636
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
2-(6,7-dimethoxy-3-methylquinolin-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 1171902
2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 45032041

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide (CID 3171524) is N-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide is COc1ccc(OC)c(NC(=O)CSc2nc3ccc(OC)cc3cc2C)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is HUJYUFVMHSKTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-13-9-14-10-15(25-2)5-7-17(14)23-21(13)28-12-20(24)22-18-11-16(26-3)6-8-19(18)27-4/h5-11H,12H2,1-4H3,(H,22,24).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide?
N-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 398.48 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(6-methoxy-3-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3171524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).