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

C19H17F2N3O2S — CID 59526169

IUPAC5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3ccc(F)cn3)s2)c(F)c1
InChIInChI=1S/C19H17F2N3O2S/c1-19(2,26)10-3-5-12(14(21)7-10)15-8-13(17(22)25)18(27-15)24-16-6-4-11(20)9-23-16/h3-9,26H,1-2H3,(H2,22,25)(H,23,24)
InChIKeyFPERTSLXSOJYOF-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.16
Rot. Bonds5

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

5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide (PubChem CID 59526169) has the molecular formula C19H17F2N3O2S and a molecular weight of 389.43 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide
PubChem CID59526169
Molecular FormulaC19H17F2N3O2S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3ccc(F)cn3)s2)c(F)c1
InChIInChI=1S/C19H17F2N3O2S/c1-19(2,26)10-3-5-12(14(21)7-10)15-8-13(17(22)25)18(27-15)24-16-6-4-11(20)9-23-16/h3-9,26H,1-2H3,(H2,22,25)(H,23,24)
InChIKeyFPERTSLXSOJYOF-UHFFFAOYSA-N
XLogP4.16
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide (CID 59526169) is 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide is CC(C)(O)c1ccc(-c2cc(C(N)=O)c(Nc3ccc(F)cn3)s2)c(F)c1.
What is the InChIKey of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide?
The InChIKey is FPERTSLXSOJYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2S/c1-19(2,26)10-3-5-12(14(21)7-10)15-8-13(17(22)25)18(27-15)24-16-6-4-11(20)9-23-16/h3-9,26H,1-2H3,(H2,22,25)(H,23,24).
What are the key properties of 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide?
5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-2-[(5-fluoro-2-pyridinyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 59526169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).