N-[3,5-difluoro-4-[4-methyl-2-[(7-propyl-1,8-naphthyridin-4-yl)amino]phenyl]sulfanylphenyl]acetamide

C26H24F2N4OS — CID 24898185

IUPACN-[3,5-difluoro-4-[4-methyl-2-[(7-propyl-1,8-naphthyridin-4-yl)amino]phenyl]sulfanylphenyl]acetamide
SMILESCCCc1ccc2c(Nc3cc(C)ccc3Sc3c(F)cc(NC(C)=O)cc3F)ccnc2n1
InChIInChI=1S/C26H24F2N4OS/c1-4-5-17-7-8-19-22(10-11-29-26(19)31-17)32-23-12-15(2)6-9-24(23)34-25-20(27)13-18(14-21(25)28)30-16(3)33/h6-14H,4-5H2,1-3H3,(H,30,33)(H,29,31,32)
InChIKeyFUFOXBCYUWMWHF-UHFFFAOYSA-N
MW478.57 g/mol
LogP7.02
Rot. Bonds7

About N-[3,5-difluoro-4-[4-methyl-2-[(7-propyl-1,8-naphthyridin-4-yl)amino]phenyl]sulfanylphenyl]acetamide

N-[3,5-difluoro-4-[4-methyl-2-[(7-propyl-1,8-naphthyridin-4-yl)amino]phenyl]sulfanylphenyl]acetamide (PubChem CID 24898185) has the molecular formula C26H24F2N4OS and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[3,5-difluoro-4-[4-methyl-2-[(7-propyl-1,8-naphthyridin-4-yl)amino]phenyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[3,5-difluoro-4-[4-methyl-2-[(7-propyl-1,8-naphthyridin-4-yl)amino]phenyl]sulfanylphenyl]acetamide
PubChem CID24898185
Molecular FormulaC26H24F2N4OS
Molecular Weight478.57 g/mol
Exact Mass478.16
IUPAC NameN-[3,5-difluoro-4-[4-methyl-2-[(7-propyl-1,8-naphthyridin-4-yl)amino]phenyl]sulfanylphenyl]acetamide
SMILESCCCc1ccc2c(Nc3cc(C)ccc3Sc3c(F)cc(NC(C)=O)cc3F)ccnc2n1
InChIInChI=1S/C26H24F2N4OS/c1-4-5-17-7-8-19-22(10-11-29-26(19)31-17)32-23-12-15(2)6-9-24(23)34-25-20(27)13-18(14-21(25)28)30-16(3)33/h6-14H,4-5H2,1-3H3,(H,30,33)(H,29,31,32)
InChIKeyFUFOXBCYUWMWHF-UHFFFAOYSA-N
XLogP7.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.57
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-difluoro-4-[4-methyl-2-[(7-propyl-1,8-naphthyridin-4-yl)amino]phenyl]sulfanylphenyl]acetamide?
The IUPAC name of N-[3,5-difluoro-4-[4-methyl-2-[(7-propyl-1,8-naphthyridin-4-yl)amino]phenyl]sulfanylphenyl]acetamide (CID 24898185) is N-[3,5-difluoro-4-[4-methyl-2-[(7-propyl-1,8-naphthyridin-4-yl)amino]phenyl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[3,5-difluoro-4-[4-methyl-2-[(7-propyl-1,8-naphthyridin-4-yl)amino]phenyl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[3,5-difluoro-4-[4-methyl-2-[(7-propyl-1,8-naphthyridin-4-yl)amino]phenyl]sulfanylphenyl]acetamide is CCCc1ccc2c(Nc3cc(C)ccc3Sc3c(F)cc(NC(C)=O)cc3F)ccnc2n1.
What is the InChIKey of N-[3,5-difluoro-4-[4-methyl-2-[(7-propyl-1,8-naphthyridin-4-yl)amino]phenyl]sulfanylphenyl]acetamide?
The InChIKey is FUFOXBCYUWMWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4OS/c1-4-5-17-7-8-19-22(10-11-29-26(19)31-17)32-23-12-15(2)6-9-24(23)34-25-20(27)13-18(14-21(25)28)30-16(3)33/h6-14H,4-5H2,1-3H3,(H,30,33)(H,29,31,32).
What are the key properties of N-[3,5-difluoro-4-[4-methyl-2-[(7-propyl-1,8-naphthyridin-4-yl)amino]phenyl]sulfanylphenyl]acetamide?
N-[3,5-difluoro-4-[4-methyl-2-[(7-propyl-1,8-naphthyridin-4-yl)amino]phenyl]sulfanylphenyl]acetamide has a molecular weight of 478.57 g/mol, XLogP of 7.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-difluoro-4-[4-methyl-2-[(7-propyl-1,8-naphthyridin-4-yl)amino]phenyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 24898185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).