2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide

C21H16Cl2N2OS2 — CID 126217149

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16Cl2N2OS2/c22-16-3-9-18(10-4-16)27-14-21(26)25-24-13-15-1-7-19(8-2-15)28-20-11-5-17(23)6-12-20/h1-13H,14H2,(H,25,26)/b24-13-
InChIKeyLSXIANOUOPRMNO-CFRMEGHHSA-N
MW447.41 g/mol
LogP6.39
Rot. Bonds7

About 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide

2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide (PubChem CID 126217149) has the molecular formula C21H16Cl2N2OS2 and a molecular weight of 447.41 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide
PubChem CID126217149
Molecular FormulaC21H16Cl2N2OS2
Molecular Weight447.41 g/mol
Exact Mass446.01
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16Cl2N2OS2/c22-16-3-9-18(10-4-16)27-14-21(26)25-24-13-15-1-7-19(8-2-15)28-20-11-5-17(23)6-12-20/h1-13H,14H2,(H,25,26)/b24-13-
InChIKeyLSXIANOUOPRMNO-CFRMEGHHSA-N
XLogP6.39
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.41
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)sulfanyl-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]acetamide
CID 126225088
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 689942
methyl 4-[[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate
CID 1153879
[4-[[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 5139439
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide
CID 9121575
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2-(4-chlorophenyl)sulfanylacetamide
CID 5410750
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(3-methoxy-4-methylphenyl)methylideneamino]acetamide
CID 5393653
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide
CID 6877546
N-[(4-chlorophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 749023
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 9121577
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-ethoxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 126215637
2-(4-chlorophenyl)sulfanyl-N-[(E)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 126214868

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide (CID 126217149) is 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide is O=C(CSc1ccc(Cl)cc1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide?
The InChIKey is LSXIANOUOPRMNO-CFRMEGHHSA-N. The full InChI is InChI=1S/C21H16Cl2N2OS2/c22-16-3-9-18(10-4-16)27-14-21(26)25-24-13-15-1-7-19(8-2-15)28-20-11-5-17(23)6-12-20/h1-13H,14H2,(H,25,26)/b24-13-.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide has a molecular weight of 447.41 g/mol, XLogP of 6.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide is sourced from PubChem (CID 126217149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).