2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(4-ethoxyphenyl)methylideneamino]acetamide

C22H23N3O2S — CID 1130746

IUPAC2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(4-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(C=NNC(=O)CSc2cc(C)nc3c(C)cccc23)cc1
InChIInChI=1S/C22H23N3O2S/c1-4-27-18-10-8-17(9-11-18)13-23-25-21(26)14-28-20-12-16(3)24-22-15(2)6-5-7-19(20)22/h5-13H,4,14H2,1-3H3,(H,25,26)
InChIKeyKBHIJQSYFQLJBC-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.49
Rot. Bonds7

About 2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(4-ethoxyphenyl)methylideneamino]acetamide

2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(4-ethoxyphenyl)methylideneamino]acetamide (PubChem CID 1130746) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(4-ethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(4-ethoxyphenyl)methylideneamino]acetamide
PubChem CID1130746
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(4-ethoxyphenyl)methylideneamino]acetamide
SMILESCCOc1ccc(C=NNC(=O)CSc2cc(C)nc3c(C)cccc23)cc1
InChIInChI=1S/C22H23N3O2S/c1-4-27-18-10-8-17(9-11-18)13-23-25-21(26)14-28-20-12-16(3)24-22-15(2)6-5-7-19(20)22/h5-13H,4,14H2,1-3H3,(H,25,26)
InChIKeyKBHIJQSYFQLJBC-UHFFFAOYSA-N
XLogP4.49
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[4-(diethylamino)phenyl]methylideneamino]-2-(2,8-dimethylquinolin-4-yl)sulfanylacetamide
CID 3141505
2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]acetamide
CID 135708600
2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 5433687
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(8-methoxy-2-methylquinolin-4-yl)sulfanylacetamide
CID 1130777
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 136791916
2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methylideneamino]acetamide
CID 5172115
N-[(E)-(4-bromophenyl)methylideneamino]-2-(2-ethoxyacridin-9-yl)sulfanylacetamide
CID 14983539
2-(2,6-dimethylquinolin-4-yl)sulfanyl-N-[(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3141496
N-[(4-ethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 3318131
N-[(4-ethoxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 689841
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(4-ethoxyphenyl)methylideneamino]acetamide
CID 1388068
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide
CID 1130729

Frequently Asked Questions

What is the IUPAC name of 2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(4-ethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(4-ethoxyphenyl)methylideneamino]acetamide (CID 1130746) is 2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(4-ethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(4-ethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(4-ethoxyphenyl)methylideneamino]acetamide is CCOc1ccc(C=NNC(=O)CSc2cc(C)nc3c(C)cccc23)cc1.
What is the InChIKey of 2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(4-ethoxyphenyl)methylideneamino]acetamide?
The InChIKey is KBHIJQSYFQLJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-4-27-18-10-8-17(9-11-18)13-23-25-21(26)14-28-20-12-16(3)24-22-15(2)6-5-7-19(20)22/h5-13H,4,14H2,1-3H3,(H,25,26).
What are the key properties of 2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(4-ethoxyphenyl)methylideneamino]acetamide?
2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(4-ethoxyphenyl)methylideneamino]acetamide has a molecular weight of 393.51 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-dimethylquinolin-4-yl)sulfanyl-N-[(4-ethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 1130746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).