N,N-bis[(4-methoxyphenyl)methyl]-6-prop-2-enylsulfinyl-5-(trifluoromethyl)pyridin-2-amine

C25H25F3N2O3S — CID 170423257

IUPACN,N-bis[(4-methoxyphenyl)methyl]-6-prop-2-enylsulfinyl-5-(trifluoromethyl)pyridin-2-amine
SMILESC=CCS(=O)c1nc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)ccc1C(F)(F)F
InChIInChI=1S/C25H25F3N2O3S/c1-4-15-34(31)24-22(25(26,27)28)13-14-23(29-24)30(16-18-5-9-20(32-2)10-6-18)17-19-7-11-21(33-3)12-8-19/h4-14H,1,15-17H2,2-3H3
InChIKeyJMYBVEBYMVWZGO-UHFFFAOYSA-N
MW490.55 g/mol
LogP5.62
Rot. Bonds10

About N,N-bis[(4-methoxyphenyl)methyl]-6-prop-2-enylsulfinyl-5-(trifluoromethyl)pyridin-2-amine

N,N-bis[(4-methoxyphenyl)methyl]-6-prop-2-enylsulfinyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 170423257) has the molecular formula C25H25F3N2O3S and a molecular weight of 490.55 g/mol. Its IUPAC name is N,N-bis[(4-methoxyphenyl)methyl]-6-prop-2-enylsulfinyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN,N-bis[(4-methoxyphenyl)methyl]-6-prop-2-enylsulfinyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID170423257
Molecular FormulaC25H25F3N2O3S
Molecular Weight490.55 g/mol
Exact Mass490.15
IUPAC NameN,N-bis[(4-methoxyphenyl)methyl]-6-prop-2-enylsulfinyl-5-(trifluoromethyl)pyridin-2-amine
SMILESC=CCS(=O)c1nc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)ccc1C(F)(F)F
InChIInChI=1S/C25H25F3N2O3S/c1-4-15-34(31)24-22(25(26,27)28)13-14-23(29-24)30(16-18-5-9-20(32-2)10-6-18)17-19-7-11-21(33-3)12-8-19/h4-14H,1,15-17H2,2-3H3
InChIKeyJMYBVEBYMVWZGO-UHFFFAOYSA-N
XLogP5.62
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.55
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-6-prop-2-enylsulfinyl-5-(trifluoromethyl)pyridin-2-amine
CID 170595265
6-bromo-N-[(4-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 164875848
N-benzyl-3-fluoro-N-[(4-methoxyphenyl)methyl]-6-prop-2-enylsulfonyl-5-(trifluoromethyl)pyridin-2-amine
CID 170677434
N,N-bis[(4-methoxyphenyl)methyl]-4,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 172512978
N-ethyl-4-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 138519666
CID 170594396
CID 170594396
6-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 172607469
6-(difluoromethyl)-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 170357019
N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-propyl-2-(trifluoromethyl)benzenesulfinamide
CID 143285654
1-N,1-N,4-N,4-N-tetrakis[(4-methoxyphenyl)methyl]benzene-1,4-diamine
CID 21254489
5-bromo-4-fluoro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 170041237
6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridazine-3-carbonitrile
CID 133421291

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-6-prop-2-enylsulfinyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N,N-bis[(4-methoxyphenyl)methyl]-6-prop-2-enylsulfinyl-5-(trifluoromethyl)pyridin-2-amine (CID 170423257) is N,N-bis[(4-methoxyphenyl)methyl]-6-prop-2-enylsulfinyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N,N-bis[(4-methoxyphenyl)methyl]-6-prop-2-enylsulfinyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N,N-bis[(4-methoxyphenyl)methyl]-6-prop-2-enylsulfinyl-5-(trifluoromethyl)pyridin-2-amine is C=CCS(=O)c1nc(N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)ccc1C(F)(F)F.
What is the InChIKey of N,N-bis[(4-methoxyphenyl)methyl]-6-prop-2-enylsulfinyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JMYBVEBYMVWZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O3S/c1-4-15-34(31)24-22(25(26,27)28)13-14-23(29-24)30(16-18-5-9-20(32-2)10-6-18)17-19-7-11-21(33-3)12-8-19/h4-14H,1,15-17H2,2-3H3.
What are the key properties of N,N-bis[(4-methoxyphenyl)methyl]-6-prop-2-enylsulfinyl-5-(trifluoromethyl)pyridin-2-amine?
N,N-bis[(4-methoxyphenyl)methyl]-6-prop-2-enylsulfinyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 490.55 g/mol, XLogP of 5.62, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(4-methoxyphenyl)methyl]-6-prop-2-enylsulfinyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 170423257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).