2-[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-methylsulfonylpropyl]-4-phenylpyridin-3-amine

C24H26F2N2O4S — CID 157144215

IUPAC2-[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-methylsulfonylpropyl]-4-phenylpyridin-3-amine
SMILESCCOc1cc(C(Cc2nccc(-c3ccccc3)c2N)CS(C)(=O)=O)ccc1OC(F)F
InChIInChI=1S/C24H26F2N2O4S/c1-3-31-22-14-17(9-10-21(22)32-24(25)26)18(15-33(2,29)30)13-20-23(27)19(11-12-28-20)16-7-5-4-6-8-16/h4-12,14,18,24H,3,13,15,27H2,1-2H3
InChIKeyJEKYSMDIQWONKW-UHFFFAOYSA-N
MW476.55 g/mol
LogP4.70
Rot. Bonds10

About 2-[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-methylsulfonylpropyl]-4-phenylpyridin-3-amine

2-[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-methylsulfonylpropyl]-4-phenylpyridin-3-amine (PubChem CID 157144215) has the molecular formula C24H26F2N2O4S and a molecular weight of 476.55 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-methylsulfonylpropyl]-4-phenylpyridin-3-amine.

Molecular Properties

Compound Name2-[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-methylsulfonylpropyl]-4-phenylpyridin-3-amine
PubChem CID157144215
Molecular FormulaC24H26F2N2O4S
Molecular Weight476.55 g/mol
Exact Mass476.16
IUPAC Name2-[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-methylsulfonylpropyl]-4-phenylpyridin-3-amine
SMILESCCOc1cc(C(Cc2nccc(-c3ccccc3)c2N)CS(C)(=O)=O)ccc1OC(F)F
InChIInChI=1S/C24H26F2N2O4S/c1-3-31-22-14-17(9-10-21(22)32-24(25)26)18(15-33(2,29)30)13-20-23(27)19(11-12-28-20)16-7-5-4-6-8-16/h4-12,14,18,24H,3,13,15,27H2,1-2H3
InChIKeyJEKYSMDIQWONKW-UHFFFAOYSA-N
XLogP4.70
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-methylsulfonylpropyl]-3-nitro-4-phenylpyridine
CID 157144216
2-[(2S)-2-(3-ethoxy-4-methoxyphenyl)-3-methylsulfonylpropyl]-3-nitro-4-phenylpyridine
CID 158840767
4-amino-3-[4-(difluoromethoxy)-3-ethoxyphenyl]butanoic acid
CID 66097892
[4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine
CID 68547360
5-bromo-2-[(2S)-2-(3-ethoxy-4-methoxyphenyl)-3-methylsulfonylpropyl]-3-nitropyridine
CID 157388775
2-ethoxy-1-methoxy-4-(2-methylsulfonyl-1-phenylethyl)benzene
CID 69484833
3-amino-3-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoic acid
CID 21082339
methyl 2-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoate
CID 141081328
3-[1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylsulfonylethyl]-7-methyl-6-(2-methylphenyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 155802661
3-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-hydroxy-2,2-dimethylpropanoic acid
CID 62397664
methyl 4-amino-3-[4-(difluoromethoxy)-3-ethoxyphenyl]butanoate
CID 66097877
3-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazin-2-amine
CID 115914318

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-methylsulfonylpropyl]-4-phenylpyridin-3-amine?
The IUPAC name of 2-[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-methylsulfonylpropyl]-4-phenylpyridin-3-amine (CID 157144215) is 2-[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-methylsulfonylpropyl]-4-phenylpyridin-3-amine.
What is the SMILES notation for 2-[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-methylsulfonylpropyl]-4-phenylpyridin-3-amine?
The canonical SMILES for 2-[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-methylsulfonylpropyl]-4-phenylpyridin-3-amine is CCOc1cc(C(Cc2nccc(-c3ccccc3)c2N)CS(C)(=O)=O)ccc1OC(F)F.
What is the InChIKey of 2-[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-methylsulfonylpropyl]-4-phenylpyridin-3-amine?
The InChIKey is JEKYSMDIQWONKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O4S/c1-3-31-22-14-17(9-10-21(22)32-24(25)26)18(15-33(2,29)30)13-20-23(27)19(11-12-28-20)16-7-5-4-6-8-16/h4-12,14,18,24H,3,13,15,27H2,1-2H3.
What are the key properties of 2-[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-methylsulfonylpropyl]-4-phenylpyridin-3-amine?
2-[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-methylsulfonylpropyl]-4-phenylpyridin-3-amine has a molecular weight of 476.55 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(difluoromethoxy)-3-ethoxyphenyl]-3-methylsulfonylpropyl]-4-phenylpyridin-3-amine is sourced from PubChem (CID 157144215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).