N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide

C20H20N2O3S — CID 22580167

IUPACN-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
SMILESCOc1cccc(NC(=O)CSCc2cc(=O)c3cc(C)ccc3[nH]2)c1
InChIInChI=1S/C20H20N2O3S/c1-13-6-7-18-17(8-13)19(23)10-15(21-18)11-26-12-20(24)22-14-4-3-5-16(9-14)25-2/h3-10H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMVCVEJJBMAPZIK-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.72
Rot. Bonds6

About N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide

N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide (PubChem CID 22580167) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
PubChem CID22580167
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
SMILESCOc1cccc(NC(=O)CSCc2cc(=O)c3cc(C)ccc3[nH]2)c1
InChIInChI=1S/C20H20N2O3S/c1-13-6-7-18-17(8-13)19(23)10-15(21-18)11-26-12-20(24)22-14-4-3-5-16(9-14)25-2/h3-10H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMVCVEJJBMAPZIK-UHFFFAOYSA-N
XLogP3.72
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355603
2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide
CID 46355414
N-(4-ethoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355604
N-(4-methoxyphenyl)-2-[(7-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355420
N-(3-chloro-4-methylphenyl)-2-[(6-methoxy-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355722
2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 46355611
ethyl 2-[[2-(3-chloroanilino)-2-oxoethyl]sulfanylmethyl]-4-oxo-1H-quinoline-6-carboxylate
CID 46355673
2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(3-methylphenyl)acetamide
CID 46355439
2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 22580168
2-[(6-chloro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2,4-dimethylphenyl)acetamide
CID 46355519
N-(2,5-dimethoxyphenyl)-2-[(8-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide
CID 46355601
2-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methylsulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 46355694

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide (CID 22580167) is N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide is COc1cccc(NC(=O)CSCc2cc(=O)c3cc(C)ccc3[nH]2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide?
The InChIKey is MVCVEJJBMAPZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-13-6-7-18-17(8-13)19(23)10-15(21-18)11-26-12-20(24)22-14-4-3-5-16(9-14)25-2/h3-10H,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide?
N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide has a molecular weight of 368.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[(6-methyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 22580167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).