2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-sulfanylbenzamide

C14H13FN2O2S — CID 107029142

IUPAC2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-sulfanylbenzamide
SMILESCOc1ccc(CNC(=O)c2cc(S)ccc2F)cn1
InChIInChI=1S/C14H13FN2O2S/c1-19-13-5-2-9(7-16-13)8-17-14(18)11-6-10(20)3-4-12(11)15/h2-7,20H,8H2,1H3,(H,17,18)
InChIKeyJADCAVFJJNRRFN-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.45
Rot. Bonds4

About 2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-sulfanylbenzamide

2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-sulfanylbenzamide (PubChem CID 107029142) has the molecular formula C14H13FN2O2S and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-sulfanylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-sulfanylbenzamide
PubChem CID107029142
Molecular FormulaC14H13FN2O2S
Molecular Weight292.34 g/mol
Exact Mass292.07
IUPAC Name2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-sulfanylbenzamide
SMILESCOc1ccc(CNC(=O)c2cc(S)ccc2F)cn1
InChIInChI=1S/C14H13FN2O2S/c1-19-13-5-2-9(7-16-13)8-17-14(18)11-6-10(20)3-4-12(11)15/h2-7,20H,8H2,1H3,(H,17,18)
InChIKeyJADCAVFJJNRRFN-UHFFFAOYSA-N
XLogP2.45
TPSA51.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136692
2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide
CID 62513842
2,4-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136619
N-[(4-ethylphenyl)methyl]-2-fluoro-5-sulfanylbenzamide
CID 107037277
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
N-[(6-methoxy-3-pyridinyl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107029146
6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-4,6-dicarboxamide
CID 59980542
2-fluoro-N-[(1-methylpyrazol-4-yl)methyl]-5-sulfanylbenzamide
CID 107027466
N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81239641
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
5-amino-2,3-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 107185089

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-sulfanylbenzamide?
The IUPAC name of 2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-sulfanylbenzamide (CID 107029142) is 2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-sulfanylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-sulfanylbenzamide?
The canonical SMILES for 2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-sulfanylbenzamide is COc1ccc(CNC(=O)c2cc(S)ccc2F)cn1.
What is the InChIKey of 2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-sulfanylbenzamide?
The InChIKey is JADCAVFJJNRRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c1-19-13-5-2-9(7-16-13)8-17-14(18)11-6-10(20)3-4-12(11)15/h2-7,20H,8H2,1H3,(H,17,18).
What are the key properties of 2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-sulfanylbenzamide?
2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-sulfanylbenzamide has a molecular weight of 292.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-sulfanylbenzamide is sourced from PubChem (CID 107029142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).