2-[2-[[4-[(2,5-difluorophenyl)-(4-methylphenyl)sulfonylmethyl]-5-methyl-2-pyridinyl]amino]ethoxy]ethanol

C24H26F2N2O4S — CID 142980725

IUPAC2-[2-[[4-[(2,5-difluorophenyl)-(4-methylphenyl)sulfonylmethyl]-5-methyl-2-pyridinyl]amino]ethoxy]ethanol
SMILESCc1ccc(S(=O)(=O)C(c2cc(NCCOCCO)ncc2C)c2cc(F)ccc2F)cc1
InChIInChI=1S/C24H26F2N2O4S/c1-16-3-6-19(7-4-16)33(30,31)24(21-13-18(25)5-8-22(21)26)20-14-23(28-15-17(20)2)27-9-11-32-12-10-29/h3-8,13-15,24,29H,9-12H2,1-2H3,(H,27,28)
InChIKeyDFGQCDZVPNQKLQ-UHFFFAOYSA-N
MW476.55 g/mol
LogP3.96
Rot. Bonds10

About 2-[2-[[4-[(2,5-difluorophenyl)-(4-methylphenyl)sulfonylmethyl]-5-methyl-2-pyridinyl]amino]ethoxy]ethanol

2-[2-[[4-[(2,5-difluorophenyl)-(4-methylphenyl)sulfonylmethyl]-5-methyl-2-pyridinyl]amino]ethoxy]ethanol (PubChem CID 142980725) has the molecular formula C24H26F2N2O4S and a molecular weight of 476.55 g/mol. Its IUPAC name is 2-[2-[[4-[(2,5-difluorophenyl)-(4-methylphenyl)sulfonylmethyl]-5-methyl-2-pyridinyl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[4-[(2,5-difluorophenyl)-(4-methylphenyl)sulfonylmethyl]-5-methyl-2-pyridinyl]amino]ethoxy]ethanol
PubChem CID142980725
Molecular FormulaC24H26F2N2O4S
Molecular Weight476.55 g/mol
Exact Mass476.16
IUPAC Name2-[2-[[4-[(2,5-difluorophenyl)-(4-methylphenyl)sulfonylmethyl]-5-methyl-2-pyridinyl]amino]ethoxy]ethanol
SMILESCc1ccc(S(=O)(=O)C(c2cc(NCCOCCO)ncc2C)c2cc(F)ccc2F)cc1
InChIInChI=1S/C24H26F2N2O4S/c1-16-3-6-19(7-4-16)33(30,31)24(21-13-18(25)5-8-22(21)26)20-14-23(28-15-17(20)2)27-9-11-32-12-10-29/h3-8,13-15,24,29H,9-12H2,1-2H3,(H,27,28)
InChIKeyDFGQCDZVPNQKLQ-UHFFFAOYSA-N
XLogP3.96
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[(2,5-difluorophenyl)-(4-methylphenyl)sulfonylmethyl]-5-methyl-2-pyridinyl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[4-[(2,5-difluorophenyl)-(4-methylphenyl)sulfonylmethyl]-5-methyl-2-pyridinyl]amino]ethoxy]ethanol (CID 142980725) is 2-[2-[[4-[(2,5-difluorophenyl)-(4-methylphenyl)sulfonylmethyl]-5-methyl-2-pyridinyl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[4-[(2,5-difluorophenyl)-(4-methylphenyl)sulfonylmethyl]-5-methyl-2-pyridinyl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[4-[(2,5-difluorophenyl)-(4-methylphenyl)sulfonylmethyl]-5-methyl-2-pyridinyl]amino]ethoxy]ethanol is Cc1ccc(S(=O)(=O)C(c2cc(NCCOCCO)ncc2C)c2cc(F)ccc2F)cc1.
What is the InChIKey of 2-[2-[[4-[(2,5-difluorophenyl)-(4-methylphenyl)sulfonylmethyl]-5-methyl-2-pyridinyl]amino]ethoxy]ethanol?
The InChIKey is DFGQCDZVPNQKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O4S/c1-16-3-6-19(7-4-16)33(30,31)24(21-13-18(25)5-8-22(21)26)20-14-23(28-15-17(20)2)27-9-11-32-12-10-29/h3-8,13-15,24,29H,9-12H2,1-2H3,(H,27,28).
What are the key properties of 2-[2-[[4-[(2,5-difluorophenyl)-(4-methylphenyl)sulfonylmethyl]-5-methyl-2-pyridinyl]amino]ethoxy]ethanol?
2-[2-[[4-[(2,5-difluorophenyl)-(4-methylphenyl)sulfonylmethyl]-5-methyl-2-pyridinyl]amino]ethoxy]ethanol has a molecular weight of 476.55 g/mol, XLogP of 3.96, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[(2,5-difluorophenyl)-(4-methylphenyl)sulfonylmethyl]-5-methyl-2-pyridinyl]amino]ethoxy]ethanol is sourced from PubChem (CID 142980725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).