5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide

C22H24FN3O3S — CID 59526367

IUPAC5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(Nc2sc(-c3ccc(C(C)(C)O)cc3F)cc2C(N)=O)nc1
InChIInChI=1S/C22H24FN3O3S/c1-21(2,28)12-5-7-14(16(23)9-12)17-10-15(19(24)27)20(30-17)26-18-8-6-13(11-25-18)22(3,4)29/h5-11,28-29H,1-4H3,(H2,24,27)(H,25,26)
InChIKeyMUAZROJHTFIKLY-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.25
Rot. Bonds6

About 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide

5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 59526367) has the molecular formula C22H24FN3O3S and a molecular weight of 429.52 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID59526367
Molecular FormulaC22H24FN3O3S
Molecular Weight429.52 g/mol
Exact Mass429.15
IUPAC Name5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(Nc2sc(-c3ccc(C(C)(C)O)cc3F)cc2C(N)=O)nc1
InChIInChI=1S/C22H24FN3O3S/c1-21(2,28)12-5-7-14(16(23)9-12)17-10-15(19(24)27)20(30-17)26-18-8-6-13(11-25-18)22(3,4)29/h5-11,28-29H,1-4H3,(H2,24,27)(H,25,26)
InChIKeyMUAZROJHTFIKLY-UHFFFAOYSA-N
XLogP4.25
TPSA108.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide (CID 59526367) is 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide is CC(C)(O)c1ccc(Nc2sc(-c3ccc(C(C)(C)O)cc3F)cc2C(N)=O)nc1.
What is the InChIKey of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is MUAZROJHTFIKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3S/c1-21(2,28)12-5-7-14(16(23)9-12)17-10-15(19(24)27)20(30-17)26-18-8-6-13(11-25-18)22(3,4)29/h5-11,28-29H,1-4H3,(H2,24,27)(H,25,26).
What are the key properties of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide?
5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 4.25, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 59526367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).