N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylsulfanylpropanamide

C17H17FN2OS — CID 94837920

IUPACN-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylsulfanylpropanamide
SMILESC/C(=N/NC(=O)CCSc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2OS/c1-13(14-7-9-15(18)10-8-14)19-20-17(21)11-12-22-16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,20,21)/b19-13-
InChIKeyPUUXSGGBADINRY-UYRXBGFRSA-N
MW316.40 g/mol
LogP3.85
Rot. Bonds6

About N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylsulfanylpropanamide

N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylsulfanylpropanamide (PubChem CID 94837920) has the molecular formula C17H17FN2OS and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylsulfanylpropanamide
PubChem CID94837920
Molecular FormulaC17H17FN2OS
Molecular Weight316.40 g/mol
Exact Mass316.10
IUPAC NameN-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylsulfanylpropanamide
SMILESC/C(=N/NC(=O)CCSc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H17FN2OS/c1-13(14-7-9-15(18)10-8-14)19-20-17(21)11-12-22-16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,20,21)/b19-13-
InChIKeyPUUXSGGBADINRY-UYRXBGFRSA-N
XLogP3.85
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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,N'-bis[1-(4-fluorophenyl)ethylideneamino]octanediamide
CID 4172268
2-(4-chlorophenyl)sulfanyl-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
CID 4646464
3-phenylsulfanyl-N-(1-thiophen-2-ylethylideneamino)propanamide
CID 3828723
N,N'-bis(1-phenylethylideneamino)octanediamide
CID 4517497
N-[1-(4-fluorophenyl)ethylideneamino]-2,2-diphenylacetamide
CID 827608
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6022107
(2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6940689
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 6083520
1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea
CID 9241529
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
N'-[1-(4-fluorophenyl)ethylideneamino]-N-(3-methylphenyl)butanediamide
CID 4033970
2-(4-fluorophenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135472799

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylsulfanylpropanamide (CID 94837920) is N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylsulfanylpropanamide is C/C(=N/NC(=O)CCSc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylsulfanylpropanamide?
The InChIKey is PUUXSGGBADINRY-UYRXBGFRSA-N. The full InChI is InChI=1S/C17H17FN2OS/c1-13(14-7-9-15(18)10-8-14)19-20-17(21)11-12-22-16-5-3-2-4-6-16/h2-10H,11-12H2,1H3,(H,20,21)/b19-13-.
What are the key properties of N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylsulfanylpropanamide?
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylsulfanylpropanamide has a molecular weight of 316.40 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 94837920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).