1-(4-methoxyphenyl)-3-[3-[[3-(4-methoxyphenyl)-3-sulfanylideneprop-1-enyl]amino]propylamino]prop-2-ene-1-thione

C23H26N2O2S2 — CID 15552996

IUPAC1-(4-methoxyphenyl)-3-[3-[[3-(4-methoxyphenyl)-3-sulfanylideneprop-1-enyl]amino]propylamino]prop-2-ene-1-thione
SMILESCOc1ccc(C(=S)C=CNCCCNC=CC(=S)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H26N2O2S2/c1-26-20-8-4-18(5-9-20)22(28)12-16-24-14-3-15-25-17-13-23(29)19-6-10-21(27-2)11-7-19/h4-13,16-17,24-25H,3,14-15H2,1-2H3
InChIKeyUCAMRFNWYJDHQV-UHFFFAOYSA-N
MW426.61 g/mol
LogP4.44
Rot. Bonds12

About 1-(4-methoxyphenyl)-3-[3-[[3-(4-methoxyphenyl)-3-sulfanylideneprop-1-enyl]amino]propylamino]prop-2-ene-1-thione

1-(4-methoxyphenyl)-3-[3-[[3-(4-methoxyphenyl)-3-sulfanylideneprop-1-enyl]amino]propylamino]prop-2-ene-1-thione (PubChem CID 15552996) has the molecular formula C23H26N2O2S2 and a molecular weight of 426.61 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[3-[[3-(4-methoxyphenyl)-3-sulfanylideneprop-1-enyl]amino]propylamino]prop-2-ene-1-thione.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[3-[[3-(4-methoxyphenyl)-3-sulfanylideneprop-1-enyl]amino]propylamino]prop-2-ene-1-thione
PubChem CID15552996
Molecular FormulaC23H26N2O2S2
Molecular Weight426.61 g/mol
Exact Mass426.14
IUPAC Name1-(4-methoxyphenyl)-3-[3-[[3-(4-methoxyphenyl)-3-sulfanylideneprop-1-enyl]amino]propylamino]prop-2-ene-1-thione
SMILESCOc1ccc(C(=S)C=CNCCCNC=CC(=S)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H26N2O2S2/c1-26-20-8-4-18(5-9-20)22(28)12-16-24-14-3-15-25-17-13-23(29)19-6-10-21(27-2)11-7-19/h4-13,16-17,24-25H,3,14-15H2,1-2H3
InChIKeyUCAMRFNWYJDHQV-UHFFFAOYSA-N
XLogP4.44
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(4-methoxyphenyl)-3-[3-[[3-(4-methoxyphenyl)-3-sulfanylideneprop-1-enyl]amino]propylamino]prop-2-ene-1-thione with MolForge

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

Launch Full Analysis

Related Compounds

N-hydroxy-4-methoxybenzenecarbothioamide
CID 12637483
(E)-3-(4-methoxyanilino)-1-(4-methoxyphenyl)-3-methylsulfanylprop-2-ene-1-thione
CID 11348532
1-N',9-N'-bis(4-methoxybenzoyl)nonanedihydrazide
CID 3123941
antimony(3+);tris(4-methoxybenzenecarbodithioate)
CID 102513737
1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene
CID 10329885
1-(4-methoxyphenyl)-3-(methylamino)prop-2-en-1-one
CID 135086544
1-methoxy-4-pent-2-en-3-ylbenzene
CID 85440848
N-formyl-4-methoxybenzamide
CID 10856056
N-[(Z)-5-chloropent-1-enyl]-4-methoxybenzamide
CID 132547490
6-[(4-methoxybenzenecarbothioyl)amino]hexanoic acid
CID 5303098
CID 12714057
CID 12714057
2-(4-methoxyphenyl)-N,N-dimethyl-2-oxoethanethioamide
CID 15272504

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[3-[[3-(4-methoxyphenyl)-3-sulfanylideneprop-1-enyl]amino]propylamino]prop-2-ene-1-thione?
The IUPAC name of 1-(4-methoxyphenyl)-3-[3-[[3-(4-methoxyphenyl)-3-sulfanylideneprop-1-enyl]amino]propylamino]prop-2-ene-1-thione (CID 15552996) is 1-(4-methoxyphenyl)-3-[3-[[3-(4-methoxyphenyl)-3-sulfanylideneprop-1-enyl]amino]propylamino]prop-2-ene-1-thione.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[3-[[3-(4-methoxyphenyl)-3-sulfanylideneprop-1-enyl]amino]propylamino]prop-2-ene-1-thione?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[3-[[3-(4-methoxyphenyl)-3-sulfanylideneprop-1-enyl]amino]propylamino]prop-2-ene-1-thione is COc1ccc(C(=S)C=CNCCCNC=CC(=S)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[3-[[3-(4-methoxyphenyl)-3-sulfanylideneprop-1-enyl]amino]propylamino]prop-2-ene-1-thione?
The InChIKey is UCAMRFNWYJDHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S2/c1-26-20-8-4-18(5-9-20)22(28)12-16-24-14-3-15-25-17-13-23(29)19-6-10-21(27-2)11-7-19/h4-13,16-17,24-25H,3,14-15H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-[3-[[3-(4-methoxyphenyl)-3-sulfanylideneprop-1-enyl]amino]propylamino]prop-2-ene-1-thione?
1-(4-methoxyphenyl)-3-[3-[[3-(4-methoxyphenyl)-3-sulfanylideneprop-1-enyl]amino]propylamino]prop-2-ene-1-thione has a molecular weight of 426.61 g/mol, XLogP of 4.44, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[3-[[3-(4-methoxyphenyl)-3-sulfanylideneprop-1-enyl]amino]propylamino]prop-2-ene-1-thione is sourced from PubChem (CID 15552996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).