N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide

C34H24ClN3O2S — CID 126192668

IUPACN-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
SMILESO=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1
InChIInChI=1S/C34H24ClN3O2S/c35-27-13-18-30(19-14-27)41-33-22-17-29(40-33)23-36-37-34(39)26-11-15-28(16-12-26)38-31(24-7-3-1-4-8-24)20-21-32(38)25-9-5-2-6-10-25/h1-23H,(H,37,39)/b36-23-
InChIKeyBUKTYFZCAOTMBW-GMEAVFFOSA-N
MW574.11 g/mol
LogP8.97
Rot. Bonds8

About N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide

N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide (PubChem CID 126192668) has the molecular formula C34H24ClN3O2S and a molecular weight of 574.11 g/mol. Its IUPAC name is N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
PubChem CID126192668
Molecular FormulaC34H24ClN3O2S
Molecular Weight574.11 g/mol
Exact Mass573.13
IUPAC NameN-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
SMILESO=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1
InChIInChI=1S/C34H24ClN3O2S/c35-27-13-18-30(19-14-27)41-33-22-17-29(40-33)23-36-37-34(39)26-11-15-28(16-12-26)38-31(24-7-3-1-4-8-24)20-21-32(38)25-9-5-2-6-10-25/h1-23H,(H,37,39)/b36-23-
InChIKeyBUKTYFZCAOTMBW-GMEAVFFOSA-N
XLogP8.97
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.11
LogP ≤ 58.97
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-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
CID 6882945
4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 126196378
N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 94845215
3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 3797622
N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide
CID 74017319
N-[(Z)-[1-(4-chlorophenyl)-2,5-diphenylpyrrol-3-yl]methylideneamino]-4-(2-methyl-5-phenylpyrrol-1-yl)benzamide
CID 124534113
4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide
CID 126197594
N-[[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]benzamide
CID 3521596
[(E)-(5-phenylsulfanylfuran-2-yl)methylideneamino]urea
CID 5426367
N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2-iodophenoxy)acetamide
CID 126194323
4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6870894
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126193221

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide?
The IUPAC name of N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide (CID 126192668) is N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide.
What is the SMILES notation for N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide?
The canonical SMILES for N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide is O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide?
The InChIKey is BUKTYFZCAOTMBW-GMEAVFFOSA-N. The full InChI is InChI=1S/C34H24ClN3O2S/c35-27-13-18-30(19-14-27)41-33-22-17-29(40-33)23-36-37-34(39)26-11-15-28(16-12-26)38-31(24-7-3-1-4-8-24)20-21-32(38)25-9-5-2-6-10-25/h1-23H,(H,37,39)/b36-23-.
What are the key properties of N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide?
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide has a molecular weight of 574.11 g/mol, XLogP of 8.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide is sourced from PubChem (CID 126192668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).