2-(4-methoxyphenyl)sulfanyl-N-[(E)-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide

C24H29N3O3S — CID 50866004

IUPAC2-(4-methoxyphenyl)sulfanyl-N-[(E)-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide
SMILESCOc1ccc(SCC(=O)N/N=C/c2cc3c(cc2OC)N(C)C(C)(C)C=C3C)cc1
InChIInChI=1S/C24H29N3O3S/c1-16-13-24(2,3)27(4)21-12-22(30-6)17(11-20(16)21)14-25-26-23(28)15-31-19-9-7-18(29-5)8-10-19/h7-14H,15H2,1-6H3,(H,26,28)/b25-14+
InChIKeyAMTSQWRHVJNDCK-AFUMVMLFSA-N
MW439.58 g/mol
LogP4.58
Rot. Bonds7

About 2-(4-methoxyphenyl)sulfanyl-N-[(E)-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide

2-(4-methoxyphenyl)sulfanyl-N-[(E)-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide (PubChem CID 50866004) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)sulfanyl-N-[(E)-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)sulfanyl-N-[(E)-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide
PubChem CID50866004
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC Name2-(4-methoxyphenyl)sulfanyl-N-[(E)-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide
SMILESCOc1ccc(SCC(=O)N/N=C/c2cc3c(cc2OC)N(C)C(C)(C)C=C3C)cc1
InChIInChI=1S/C24H29N3O3S/c1-16-13-24(2,3)27(4)21-12-22(30-6)17(11-20(16)21)14-25-26-23(28)15-31-19-9-7-18(29-5)8-10-19/h7-14H,15H2,1-6H3,(H,26,28)/b25-14+
InChIKeyAMTSQWRHVJNDCK-AFUMVMLFSA-N
XLogP4.58
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
CID 50867546
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]acetamide
CID 50867785
2-(4-methoxyphenyl)sulfanyl-N-[(E)-(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide
CID 50859713
N-[(E)-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 50865918
N-(4-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865705
3,5-dibromo-2-hydroxy-N-[(Z)-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]benzamide
CID 50865756
N-(3-methoxyphenyl)-1-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methanimine
CID 50865854
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
CID 135716269
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide
CID 50864905
N-[(Z)-(1-ethyl-7-methoxy-2,2,4-trimethylquinolin-6-yl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 50867701
N-[(Z)-(1,5-dimethylpyrrol-2-yl)methylideneamino]-2-(4-methoxyphenyl)sulfanylacetamide
CID 50855547
N-[(E)-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]-2-methoxybenzamide
CID 133170243

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[(E)-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)sulfanyl-N-[(E)-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide (CID 50866004) is 2-(4-methoxyphenyl)sulfanyl-N-[(E)-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)sulfanyl-N-[(E)-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)sulfanyl-N-[(E)-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide is COc1ccc(SCC(=O)N/N=C/c2cc3c(cc2OC)N(C)C(C)(C)C=C3C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)sulfanyl-N-[(E)-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide?
The InChIKey is AMTSQWRHVJNDCK-AFUMVMLFSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-16-13-24(2,3)27(4)21-12-22(30-6)17(11-20(16)21)14-25-26-23(28)15-31-19-9-7-18(29-5)8-10-19/h7-14H,15H2,1-6H3,(H,26,28)/b25-14+.
What are the key properties of 2-(4-methoxyphenyl)sulfanyl-N-[(E)-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide?
2-(4-methoxyphenyl)sulfanyl-N-[(E)-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide has a molecular weight of 439.58 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)sulfanyl-N-[(E)-(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylideneamino]acetamide is sourced from PubChem (CID 50866004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).