N-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide

C19H24FN3O3S — CID 11952883

IUPACN-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
SMILESCC(=O)Nc1nc(CCCCCNC(=O)COCc2ccc(F)cc2)cs1
InChIInChI=1S/C19H24FN3O3S/c1-14(24)22-19-23-17(13-27-19)5-3-2-4-10-21-18(25)12-26-11-15-6-8-16(20)9-7-15/h6-9,13H,2-5,10-12H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyFHHYALDJVFUJKQ-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.29
Rot. Bonds11

About N-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide

N-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide (PubChem CID 11952883) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is N-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide.

Molecular Properties

Compound NameN-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
PubChem CID11952883
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC NameN-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
SMILESCC(=O)Nc1nc(CCCCCNC(=O)COCc2ccc(F)cc2)cs1
InChIInChI=1S/C19H24FN3O3S/c1-14(24)22-19-23-17(13-27-19)5-3-2-4-10-21-18(25)12-26-11-15-6-8-16(20)9-7-15/h6-9,13H,2-5,10-12H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyFHHYALDJVFUJKQ-UHFFFAOYSA-N
XLogP3.29
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The IUPAC name of N-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide (CID 11952883) is N-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide.
What is the SMILES notation for N-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The canonical SMILES for N-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide is CC(=O)Nc1nc(CCCCCNC(=O)COCc2ccc(F)cc2)cs1.
What is the InChIKey of N-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The InChIKey is FHHYALDJVFUJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c1-14(24)22-19-23-17(13-27-19)5-3-2-4-10-21-18(25)12-26-11-15-6-8-16(20)9-7-15/h6-9,13H,2-5,10-12H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
N-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide has a molecular weight of 393.48 g/mol, XLogP of 3.29, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-acetamido-1,3-thiazol-4-yl)pentyl]-2-[(4-fluorophenyl)methoxy]acetamide is sourced from PubChem (CID 11952883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).