N-(2,5-dimethoxyphenyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide

C22H24N2O4S — CID 46355630

IUPACN-(2,5-dimethoxyphenyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSCc2cc(=O)c3ccc(C)c(C)c3[nH]2)c1
InChIInChI=1S/C22H24N2O4S/c1-13-5-7-17-19(25)9-15(23-22(17)14(13)2)11-29-12-21(26)24-18-10-16(27-3)6-8-20(18)28-4/h5-10H,11-12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyAKYAPOUNYKKOMA-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.03
Rot. Bonds7

About N-(2,5-dimethoxyphenyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide

N-(2,5-dimethoxyphenyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide (PubChem CID 46355630) has the molecular formula C22H24N2O4S and a molecular weight of 412.51 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
PubChem CID46355630
Molecular FormulaC22H24N2O4S
Molecular Weight412.51 g/mol
Exact Mass412.15
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSCc2cc(=O)c3ccc(C)c(C)c3[nH]2)c1
InChIInChI=1S/C22H24N2O4S/c1-13-5-7-17-19(25)9-15(23-22(17)14(13)2)11-29-12-21(26)24-18-10-16(27-3)6-8-20(18)28-4/h5-10H,11-12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyAKYAPOUNYKKOMA-UHFFFAOYSA-N
XLogP4.03
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dimethoxyphenyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide with MolForge

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-[(8-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355601
2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxyphenyl)acetamide
CID 46355444
N-(2,5-dimethoxyphenyl)-2-[(6-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355712
2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide
CID 46355439
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 35495479
N-(4-methoxyphenyl)-2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355420
2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 46355668
N-(3-chloro-4-methoxyphenyl)-2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355691
N-(2,5-dimethoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
CID 31547774
N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide
CID 31544280
2-[(2,3-difluorophenyl)methylsulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 26635675
N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 22580167

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide (CID 46355630) is N-(2,5-dimethoxyphenyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide is COc1ccc(OC)c(NC(=O)CSCc2cc(=O)c3ccc(C)c(C)c3[nH]2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide?
The InChIKey is AKYAPOUNYKKOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4S/c1-13-5-7-17-19(25)9-15(23-22(17)14(13)2)11-29-12-21(26)24-18-10-16(27-3)6-8-20(18)28-4/h5-10H,11-12H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide has a molecular weight of 412.51 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 46355630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).