4-[4-[bis(prop-2-enyl)amino]phenyl]sulfanyl-N,N-bis(prop-2-enyl)aniline

C24H28N2S — CID 139763508

IUPAC4-[4-[bis(prop-2-enyl)amino]phenyl]sulfanyl-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1ccc(Sc2ccc(N(CC=C)CC=C)cc2)cc1
InChIInChI=1S/C24H28N2S/c1-5-17-25(18-6-2)21-9-13-23(14-10-21)27-24-15-11-22(12-16-24)26(19-7-3)20-8-4/h5-16H,1-4,17-20H2
InChIKeyWDTCGJICJYNUIG-UHFFFAOYSA-N
MW376.57 g/mol
LogP6.19
Rot. Bonds12

About 4-[4-[bis(prop-2-enyl)amino]phenyl]sulfanyl-N,N-bis(prop-2-enyl)aniline

4-[4-[bis(prop-2-enyl)amino]phenyl]sulfanyl-N,N-bis(prop-2-enyl)aniline (PubChem CID 139763508) has the molecular formula C24H28N2S and a molecular weight of 376.57 g/mol. Its IUPAC name is 4-[4-[bis(prop-2-enyl)amino]phenyl]sulfanyl-N,N-bis(prop-2-enyl)aniline.

Molecular Properties

Compound Name4-[4-[bis(prop-2-enyl)amino]phenyl]sulfanyl-N,N-bis(prop-2-enyl)aniline
PubChem CID139763508
Molecular FormulaC24H28N2S
Molecular Weight376.57 g/mol
Exact Mass376.20
IUPAC Name4-[4-[bis(prop-2-enyl)amino]phenyl]sulfanyl-N,N-bis(prop-2-enyl)aniline
SMILESC=CCN(CC=C)c1ccc(Sc2ccc(N(CC=C)CC=C)cc2)cc1
InChIInChI=1S/C24H28N2S/c1-5-17-25(18-6-2)21-9-13-23(14-10-21)27-24-15-11-22(12-16-24)26(19-7-3)20-8-4/h5-16H,1-4,17-20H2
InChIKeyWDTCGJICJYNUIG-UHFFFAOYSA-N
XLogP6.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.57
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[bis(prop-2-enyl)amino]benzonitrile
CID 15882264
4-prop-2-enoxy-N,N-bis(prop-2-enyl)aniline
CID 11817064
4-[3-[4-[bis(prop-2-enyl)amino]phenyl]pentan-3-yl]-N,N-bis(prop-2-enyl)aniline
CID 139763507
4-phenyldiazenyl-N,N-bis(prop-2-enyl)aniline
CID 13007572
4-[[4-[bis(prop-2-enyl)amino]phenyl]-phenylmethyl]-N,N-bis(prop-2-enyl)aniline
CID 70463488
3-[4-(dimethylamino)-N-prop-2-enylanilino]propanoic acid
CID 82317597
N'-phenyl-N'-prop-2-enylethane-1,2-diamine
CID 67884989
methyl 4-[bis(prop-2-enyl)amino]benzoate
CID 11806509
CID 11374036
CID 11374036
N-prop-2-enyl-N-propylaniline;hydrochloride
CID 131737394
4-[ethyl(prop-2-enyl)amino]benzonitrile
CID 78958833
(1S)-1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 104869553

Frequently Asked Questions

What is the IUPAC name of 4-[4-[bis(prop-2-enyl)amino]phenyl]sulfanyl-N,N-bis(prop-2-enyl)aniline?
The IUPAC name of 4-[4-[bis(prop-2-enyl)amino]phenyl]sulfanyl-N,N-bis(prop-2-enyl)aniline (CID 139763508) is 4-[4-[bis(prop-2-enyl)amino]phenyl]sulfanyl-N,N-bis(prop-2-enyl)aniline.
What is the SMILES notation for 4-[4-[bis(prop-2-enyl)amino]phenyl]sulfanyl-N,N-bis(prop-2-enyl)aniline?
The canonical SMILES for 4-[4-[bis(prop-2-enyl)amino]phenyl]sulfanyl-N,N-bis(prop-2-enyl)aniline is C=CCN(CC=C)c1ccc(Sc2ccc(N(CC=C)CC=C)cc2)cc1.
What is the InChIKey of 4-[4-[bis(prop-2-enyl)amino]phenyl]sulfanyl-N,N-bis(prop-2-enyl)aniline?
The InChIKey is WDTCGJICJYNUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2S/c1-5-17-25(18-6-2)21-9-13-23(14-10-21)27-24-15-11-22(12-16-24)26(19-7-3)20-8-4/h5-16H,1-4,17-20H2.
What are the key properties of 4-[4-[bis(prop-2-enyl)amino]phenyl]sulfanyl-N,N-bis(prop-2-enyl)aniline?
4-[4-[bis(prop-2-enyl)amino]phenyl]sulfanyl-N,N-bis(prop-2-enyl)aniline has a molecular weight of 376.57 g/mol, XLogP of 6.19, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[bis(prop-2-enyl)amino]phenyl]sulfanyl-N,N-bis(prop-2-enyl)aniline is sourced from PubChem (CID 139763508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).