2-[(4-chlorophenyl)methylsulfanyl]-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide

C23H18ClN3O2S2 — CID 2223074

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)NN=Cc1ccc(Sc2cccc3cccnc23)o1
InChIInChI=1S/C23H18ClN3O2S2/c24-18-8-6-16(7-9-18)14-30-15-21(28)27-26-13-19-10-11-22(29-19)31-20-5-1-3-17-4-2-12-25-23(17)20/h1-13H,14-15H2,(H,27,28)
InChIKeyVPKAMCOUVWGWEJ-UHFFFAOYSA-N
MW468.00 g/mol
LogP6.02
Rot. Bonds8

About 2-[(4-chlorophenyl)methylsulfanyl]-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide

2-[(4-chlorophenyl)methylsulfanyl]-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide (PubChem CID 2223074) has the molecular formula C23H18ClN3O2S2 and a molecular weight of 468.00 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide
PubChem CID2223074
Molecular FormulaC23H18ClN3O2S2
Molecular Weight468.00 g/mol
Exact Mass467.05
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)NN=Cc1ccc(Sc2cccc3cccnc23)o1
InChIInChI=1S/C23H18ClN3O2S2/c24-18-8-6-16(7-9-18)14-30-15-21(28)27-26-13-19-10-11-22(29-19)31-20-5-1-3-17-4-2-12-25-23(17)20/h1-13H,14-15H2,(H,27,28)
InChIKeyVPKAMCOUVWGWEJ-UHFFFAOYSA-N
XLogP6.02
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.00
LogP ≤ 56.02
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

2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 5344847
N-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]pentanamide
CID 6895307
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126191266
[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea
CID 3119183
4-methoxy-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 1247126
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 136911345
N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5405310
N-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 6882442
(5Z)-2-(4-chlorophenyl)imino-5-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 137036263
2-[(4-nitrophenyl)methylsulfanyl]-N-(pyridin-4-ylmethylideneamino)acetamide
CID 804807
N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 126193694
2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide
CID 6897199

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide (CID 2223074) is 2-[(4-chlorophenyl)methylsulfanyl]-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide is O=C(CSCc1ccc(Cl)cc1)NN=Cc1ccc(Sc2cccc3cccnc23)o1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide?
The InChIKey is VPKAMCOUVWGWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2S2/c24-18-8-6-16(7-9-18)14-30-15-21(28)27-26-13-19-10-11-22(29-19)31-20-5-1-3-17-4-2-12-25-23(17)20/h1-13H,14-15H2,(H,27,28).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide has a molecular weight of 468.00 g/mol, XLogP of 6.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 2223074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).