N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-(3-hydroxyphenyl)acetamide

C17H13FN2O2S — CID 24831201

IUPACN-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)Nc1cc(-c2ccnc(F)c2)cs1
InChIInChI=1S/C17H13FN2O2S/c18-15-8-12(4-5-19-15)13-9-17(23-10-13)20-16(22)7-11-2-1-3-14(21)6-11/h1-6,8-10,21H,7H2,(H,20,22)
InChIKeyDZLWAFVJEMSNOF-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.84
Rot. Bonds4

About N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-(3-hydroxyphenyl)acetamide

N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-(3-hydroxyphenyl)acetamide (PubChem CID 24831201) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-(3-hydroxyphenyl)acetamide
PubChem CID24831201
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC NameN-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-(3-hydroxyphenyl)acetamide
SMILESO=C(Cc1cccc(O)c1)Nc1cc(-c2ccnc(F)c2)cs1
InChIInChI=1S/C17H13FN2O2S/c18-15-8-12(4-5-19-15)13-9-17(23-10-13)20-16(22)7-11-2-1-3-14(21)6-11/h1-6,8-10,21H,7H2,(H,20,22)
InChIKeyDZLWAFVJEMSNOF-UHFFFAOYSA-N
XLogP3.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24830567
N-[4-(2-chloro-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24830568
N-[4-(2-amino-4-pyridinyl)thiophen-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24830570
2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-2-yl)acetamide
CID 60097396
2-(3-Hydroxyphenyl)-N-(4-pyridin-4-yl-thiazol-2-yl)-acetamide
CID 60097406
2-(3-methoxyphenyl)-N-(4-pyridin-4-ylthiophen-2-yl)acetamide
CID 60097605
2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide
CID 60097665
(2,6-Difluoro-3-hydroxyphenyl)-(5-pyridin-3-ylthiophen-2-yl)methanone
CID 122652975
(5-Pyridin-3-ylthiophen-2-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 122652996
(2,6-Difluoro-3-hydroxyphenyl)-(5-pyridin-4-ylthiophen-2-yl)methanone
CID 122653001
N-(4-hydroxyphenyl)-4-(5-pyridin-3-ylthiophen-2-yl)butanamide
CID 118472060
N-[(4-hydroxyphenyl)methyl]-4-(5-pyridin-3-ylthiophen-2-yl)butanamide
CID 172452322

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-(3-hydroxyphenyl)acetamide (CID 24831201) is N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-(3-hydroxyphenyl)acetamide is O=C(Cc1cccc(O)c1)Nc1cc(-c2ccnc(F)c2)cs1.
What is the InChIKey of N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-(3-hydroxyphenyl)acetamide?
The InChIKey is DZLWAFVJEMSNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c18-15-8-12(4-5-19-15)13-9-17(23-10-13)20-16(22)7-11-2-1-3-14(21)6-11/h1-6,8-10,21H,7H2,(H,20,22).
What are the key properties of N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-(3-hydroxyphenyl)acetamide?
N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-(3-hydroxyphenyl)acetamide has a molecular weight of 328.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoro-4-pyridinyl)thiophen-2-yl]-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 24831201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).