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

C21H17ClN2OS2 — CID 126225088

IUPAC2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)N/N=C\c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C21H17ClN2OS2/c22-17-8-12-18(13-9-17)26-15-21(25)24-23-14-16-6-10-20(11-7-16)27-19-4-2-1-3-5-19/h1-14H,15H2,(H,24,25)/b23-14-
InChIKeyXUJZNMIFOSQFGR-UCQKPKSFSA-N
MW412.97 g/mol
LogP5.73
Rot. Bonds7

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

2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]acetamide (PubChem CID 126225088) has the molecular formula C21H17ClN2OS2 and a molecular weight of 412.97 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]acetamide
PubChem CID126225088
Molecular FormulaC21H17ClN2OS2
Molecular Weight412.97 g/mol
Exact Mass412.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]acetamide
SMILESO=C(CSc1ccc(Cl)cc1)N/N=C\c1ccc(Sc2ccccc2)cc1
InChIInChI=1S/C21H17ClN2OS2/c22-17-8-12-18(13-9-17)26-15-21(25)24-23-14-16-6-10-20(11-7-16)27-19-4-2-1-3-5-19/h1-14H,15H2,(H,24,25)/b23-14-
InChIKeyXUJZNMIFOSQFGR-UCQKPKSFSA-N
XLogP5.73
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.97
LogP ≤ 55.73
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-(4-chlorophenyl)sulfanylphenyl]methylideneamino]acetamide
CID 126217149
[4-[[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 5139439
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methylideneamino]acetamide
CID 689942
4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide
CID 126197594
methyl 4-[[[2-(4-chlorophenyl)sulfanylacetyl]hydrazinylidene]methyl]benzoate
CID 1153879
N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide
CID 3521596
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(2-methylphenyl)sulfanylacetamide
CID 6877546
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(3-fluorophenyl)methylideneamino]acetamide
CID 9121575
N-[(4-chlorophenyl)methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 749023
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
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 5408332

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]acetamide (CID 126225088) is 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]acetamide is O=C(CSc1ccc(Cl)cc1)N/N=C\c1ccc(Sc2ccccc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]acetamide?
The InChIKey is XUJZNMIFOSQFGR-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H17ClN2OS2/c22-17-8-12-18(13-9-17)26-15-21(25)24-23-14-16-6-10-20(11-7-16)27-19-4-2-1-3-5-19/h1-14H,15H2,(H,24,25)/b23-14-.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]acetamide has a molecular weight of 412.97 g/mol, XLogP of 5.73, 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-phenylsulfanylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 126225088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).