(4Z,13E)-15-[(Z)-but-2-en-2-yl]sulfanyl-11-ethyl-2-fluoro-N,14-dimethyl-8-methylidenepentadeca-4,9,13-trien-3-imine

C24H38FNS — CID 166922109

IUPAC(4Z,13E)-15-[(Z)-but-2-en-2-yl]sulfanyl-11-ethyl-2-fluoro-N,14-dimethyl-8-methylidenepentadeca-4,9,13-trien-3-imine
SMILESC=C(C=CC(CC)C/C=C(\C)CS/C(C)=C\C)CC/C=C\C(=N\C)C(C)F
InChIInChI=1S/C24H38FNS/c1-8-21(5)27-18-20(4)15-17-23(9-2)16-14-19(3)12-10-11-13-24(26-7)22(6)25/h8,11,13-16,22-23H,3,9-10,12,17-18H2,1-2,4-7H3/b13-11-,16-14?,20-15+,21-8-,26-24-
InChIKeyOFSJWDIUSYLEJW-OKACLAHXSA-N
MW391.64 g/mol
LogP7.88
Rot. Bonds13

About (4Z,13E)-15-[(Z)-but-2-en-2-yl]sulfanyl-11-ethyl-2-fluoro-N,14-dimethyl-8-methylidenepentadeca-4,9,13-trien-3-imine

(4Z,13E)-15-[(Z)-but-2-en-2-yl]sulfanyl-11-ethyl-2-fluoro-N,14-dimethyl-8-methylidenepentadeca-4,9,13-trien-3-imine (PubChem CID 166922109) has the molecular formula C24H38FNS and a molecular weight of 391.64 g/mol. Its IUPAC name is (4Z,13E)-15-[(Z)-but-2-en-2-yl]sulfanyl-11-ethyl-2-fluoro-N,14-dimethyl-8-methylidenepentadeca-4,9,13-trien-3-imine.

Molecular Properties

Compound Name(4Z,13E)-15-[(Z)-but-2-en-2-yl]sulfanyl-11-ethyl-2-fluoro-N,14-dimethyl-8-methylidenepentadeca-4,9,13-trien-3-imine
PubChem CID166922109
Molecular FormulaC24H38FNS
Molecular Weight391.64 g/mol
Exact Mass391.27
IUPAC Name(4Z,13E)-15-[(Z)-but-2-en-2-yl]sulfanyl-11-ethyl-2-fluoro-N,14-dimethyl-8-methylidenepentadeca-4,9,13-trien-3-imine
SMILESC=C(C=CC(CC)C/C=C(\C)CS/C(C)=C\C)CC/C=C\C(=N\C)C(C)F
InChIInChI=1S/C24H38FNS/c1-8-21(5)27-18-20(4)15-17-23(9-2)16-14-19(3)12-10-11-13-24(26-7)22(6)25/h8,11,13-16,22-23H,3,9-10,12,17-18H2,1-2,4-7H3/b13-11-,16-14?,20-15+,21-8-,26-24-
InChIKeyOFSJWDIUSYLEJW-OKACLAHXSA-N
XLogP7.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.64
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (4Z,13E)-15-[(Z)-but-2-en-2-yl]sulfanyl-11-ethyl-2-fluoro-N,14-dimethyl-8-methylidenepentadeca-4,9,13-trien-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4Z,13E)-15-[(Z)-but-2-en-2-yl]sulfanyl-11-ethyl-2-fluoro-N,14-dimethyl-8-methylidenepentadeca-4,9,13-trien-3-imine?
The IUPAC name of (4Z,13E)-15-[(Z)-but-2-en-2-yl]sulfanyl-11-ethyl-2-fluoro-N,14-dimethyl-8-methylidenepentadeca-4,9,13-trien-3-imine (CID 166922109) is (4Z,13E)-15-[(Z)-but-2-en-2-yl]sulfanyl-11-ethyl-2-fluoro-N,14-dimethyl-8-methylidenepentadeca-4,9,13-trien-3-imine.
What is the SMILES notation for (4Z,13E)-15-[(Z)-but-2-en-2-yl]sulfanyl-11-ethyl-2-fluoro-N,14-dimethyl-8-methylidenepentadeca-4,9,13-trien-3-imine?
The canonical SMILES for (4Z,13E)-15-[(Z)-but-2-en-2-yl]sulfanyl-11-ethyl-2-fluoro-N,14-dimethyl-8-methylidenepentadeca-4,9,13-trien-3-imine is C=C(C=CC(CC)C/C=C(\C)CS/C(C)=C\C)CC/C=C\C(=N\C)C(C)F.
What is the InChIKey of (4Z,13E)-15-[(Z)-but-2-en-2-yl]sulfanyl-11-ethyl-2-fluoro-N,14-dimethyl-8-methylidenepentadeca-4,9,13-trien-3-imine?
The InChIKey is OFSJWDIUSYLEJW-OKACLAHXSA-N. The full InChI is InChI=1S/C24H38FNS/c1-8-21(5)27-18-20(4)15-17-23(9-2)16-14-19(3)12-10-11-13-24(26-7)22(6)25/h8,11,13-16,22-23H,3,9-10,12,17-18H2,1-2,4-7H3/b13-11-,16-14?,20-15+,21-8-,26-24-.
What are the key properties of (4Z,13E)-15-[(Z)-but-2-en-2-yl]sulfanyl-11-ethyl-2-fluoro-N,14-dimethyl-8-methylidenepentadeca-4,9,13-trien-3-imine?
(4Z,13E)-15-[(Z)-but-2-en-2-yl]sulfanyl-11-ethyl-2-fluoro-N,14-dimethyl-8-methylidenepentadeca-4,9,13-trien-3-imine has a molecular weight of 391.64 g/mol, XLogP of 7.88, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,13E)-15-[(Z)-but-2-en-2-yl]sulfanyl-11-ethyl-2-fluoro-N,14-dimethyl-8-methylidenepentadeca-4,9,13-trien-3-imine is sourced from PubChem (CID 166922109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).