5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide

C24H25F2N3O4S — CID 68740270

IUPAC5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(O)Cc1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(C4(O)CCOCC4)n3)s2)c(F)c1
InChIInChI=1S/C24H25F2N3O4S/c1-13(30)9-14-10-16(25)21(17(26)11-14)18-12-15(22(27)31)23(34-18)29-20-4-2-3-19(28-20)24(32)5-7-33-8-6-24/h2-4,10-13,30,32H,5-9H2,1H3,(H2,27,31)(H,28,29)
InChIKeyXDORXFFLULUZDM-UHFFFAOYSA-N
MW489.54 g/mol
LogP3.85
Rot. Bonds7

About 5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide

5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 68740270) has the molecular formula C24H25F2N3O4S and a molecular weight of 489.54 g/mol. Its IUPAC name is 5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID68740270
Molecular FormulaC24H25F2N3O4S
Molecular Weight489.54 g/mol
Exact Mass489.15
IUPAC Name5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(O)Cc1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(C4(O)CCOCC4)n3)s2)c(F)c1
InChIInChI=1S/C24H25F2N3O4S/c1-13(30)9-14-10-16(25)21(17(26)11-14)18-12-15(22(27)31)23(34-18)29-20-4-2-3-19(28-20)24(32)5-7-33-8-6-24/h2-4,10-13,30,32H,5-9H2,1H3,(H2,27,31)(H,28,29)
InChIKeyXDORXFFLULUZDM-UHFFFAOYSA-N
XLogP3.85
TPSA117.70 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 53.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide (CID 68740270) is 5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide is CC(O)Cc1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(C4(O)CCOCC4)n3)s2)c(F)c1.
What is the InChIKey of 5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is XDORXFFLULUZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O4S/c1-13(30)9-14-10-16(25)21(17(26)11-14)18-12-15(22(27)31)23(34-18)29-20-4-2-3-19(28-20)24(32)5-7-33-8-6-24/h2-4,10-13,30,32H,5-9H2,1H3,(H2,27,31)(H,28,29).
What are the key properties of 5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 489.54 g/mol, XLogP of 3.85, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,6-difluoro-4-(2-hydroxypropyl)phenyl]-2-[[6-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 68740270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).