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

C25H29FN4O3S — CID 11952841

IUPAC2-[(4-fluorophenyl)methoxy]-N-[5-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]acetamide
SMILESCc1ccc(NC(=O)Nc2nc(CCCCCNC(=O)COCc3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C25H29FN4O3S/c1-18-6-12-21(13-7-18)28-24(32)30-25-29-22(17-34-25)5-3-2-4-14-27-23(31)16-33-15-19-8-10-20(26)11-9-19/h6-13,17H,2-5,14-16H2,1H3,(H,27,31)(H2,28,29,30,32)
InChIKeyOESLSIJIAHZOKP-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.28
Rot. Bonds12

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

2-[(4-fluorophenyl)methoxy]-N-[5-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]acetamide (PubChem CID 11952841) has the molecular formula C25H29FN4O3S and a molecular weight of 484.60 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-N-[5-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-N-[5-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]acetamide
PubChem CID11952841
Molecular FormulaC25H29FN4O3S
Molecular Weight484.60 g/mol
Exact Mass484.19
IUPAC Name2-[(4-fluorophenyl)methoxy]-N-[5-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]acetamide
SMILESCc1ccc(NC(=O)Nc2nc(CCCCCNC(=O)COCc3ccc(F)cc3)cs2)cc1
InChIInChI=1S/C25H29FN4O3S/c1-18-6-12-21(13-7-18)28-24(32)30-25-29-22(17-34-25)5-3-2-4-14-27-23(31)16-33-15-19-8-10-20(26)11-9-19/h6-13,17H,2-5,14-16H2,1H3,(H,27,31)(H2,28,29,30,32)
InChIKeyOESLSIJIAHZOKP-UHFFFAOYSA-N
XLogP5.28
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.28
H-Bond Donors ≤ 53
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 2-[(4-fluorophenyl)methoxy]-N-[5-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-N-[5-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]acetamide (CID 11952841) is 2-[(4-fluorophenyl)methoxy]-N-[5-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-N-[5-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-N-[5-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]acetamide is Cc1ccc(NC(=O)Nc2nc(CCCCCNC(=O)COCc3ccc(F)cc3)cs2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-N-[5-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]acetamide?
The InChIKey is OESLSIJIAHZOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O3S/c1-18-6-12-21(13-7-18)28-24(32)30-25-29-22(17-34-25)5-3-2-4-14-27-23(31)16-33-15-19-8-10-20(26)11-9-19/h6-13,17H,2-5,14-16H2,1H3,(H,27,31)(H2,28,29,30,32).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-N-[5-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]acetamide?
2-[(4-fluorophenyl)methoxy]-N-[5-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]acetamide has a molecular weight of 484.60 g/mol, XLogP of 5.28, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-N-[5-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]acetamide is sourced from PubChem (CID 11952841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).