N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]heptan-3-yl]-N,5-dimethyl-2-(1,3-thiazol-2-yl)benzamide

C25H30FN3O2S — CID 138738494

IUPACN-[4-[(5-fluoro-2-pyridinyl)oxymethyl]heptan-3-yl]-N,5-dimethyl-2-(1,3-thiazol-2-yl)benzamide
SMILESCCCC(COc1ccc(F)cn1)C(CC)N(C)C(=O)c1cc(C)ccc1-c1nccs1
InChIInChI=1S/C25H30FN3O2S/c1-5-7-18(16-31-23-11-9-19(26)15-28-23)22(6-2)29(4)25(30)21-14-17(3)8-10-20(21)24-27-12-13-32-24/h8-15,18,22H,5-7,16H2,1-4H3
InChIKeyMXDHVTFPXHLUEX-UHFFFAOYSA-N
MW455.60 g/mol
LogP6.00
Rot. Bonds10

About N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]heptan-3-yl]-N,5-dimethyl-2-(1,3-thiazol-2-yl)benzamide

N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]heptan-3-yl]-N,5-dimethyl-2-(1,3-thiazol-2-yl)benzamide (PubChem CID 138738494) has the molecular formula C25H30FN3O2S and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]heptan-3-yl]-N,5-dimethyl-2-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-[(5-fluoro-2-pyridinyl)oxymethyl]heptan-3-yl]-N,5-dimethyl-2-(1,3-thiazol-2-yl)benzamide
PubChem CID138738494
Molecular FormulaC25H30FN3O2S
Molecular Weight455.60 g/mol
Exact Mass455.20
IUPAC NameN-[4-[(5-fluoro-2-pyridinyl)oxymethyl]heptan-3-yl]-N,5-dimethyl-2-(1,3-thiazol-2-yl)benzamide
SMILESCCCC(COc1ccc(F)cn1)C(CC)N(C)C(=O)c1cc(C)ccc1-c1nccs1
InChIInChI=1S/C25H30FN3O2S/c1-5-7-18(16-31-23-11-9-19(26)15-28-23)22(6-2)29(4)25(30)21-14-17(3)8-10-20(21)24-27-12-13-32-24/h8-15,18,22H,5-7,16H2,1-4H3
InChIKeyMXDHVTFPXHLUEX-UHFFFAOYSA-N
XLogP6.00
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]heptan-3-yl]-N,5-dimethyl-2-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]heptan-3-yl]-N,5-dimethyl-2-(1,3-thiazol-2-yl)benzamide (CID 138738494) is N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]heptan-3-yl]-N,5-dimethyl-2-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]heptan-3-yl]-N,5-dimethyl-2-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]heptan-3-yl]-N,5-dimethyl-2-(1,3-thiazol-2-yl)benzamide is CCCC(COc1ccc(F)cn1)C(CC)N(C)C(=O)c1cc(C)ccc1-c1nccs1.
What is the InChIKey of N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]heptan-3-yl]-N,5-dimethyl-2-(1,3-thiazol-2-yl)benzamide?
The InChIKey is MXDHVTFPXHLUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2S/c1-5-7-18(16-31-23-11-9-19(26)15-28-23)22(6-2)29(4)25(30)21-14-17(3)8-10-20(21)24-27-12-13-32-24/h8-15,18,22H,5-7,16H2,1-4H3.
What are the key properties of N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]heptan-3-yl]-N,5-dimethyl-2-(1,3-thiazol-2-yl)benzamide?
N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]heptan-3-yl]-N,5-dimethyl-2-(1,3-thiazol-2-yl)benzamide has a molecular weight of 455.60 g/mol, XLogP of 6.00, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]heptan-3-yl]-N,5-dimethyl-2-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 138738494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).