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

C24H26F2N4O3S — CID 11952842

IUPACN-[5-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
SMILESO=C(COCc1ccc(F)cc1)NCCCCCc1csc(NC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C24H26F2N4O3S/c25-18-7-5-17(6-8-18)14-33-15-22(31)27-13-3-1-2-4-21-16-34-24(29-21)30-23(32)28-20-11-9-19(26)10-12-20/h5-12,16H,1-4,13-15H2,(H,27,31)(H2,28,29,30,32)
InChIKeyMPVIDMFTEHMSHP-UHFFFAOYSA-N
MW488.56 g/mol
LogP5.11
Rot. Bonds12

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

N-[5-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide (PubChem CID 11952842) has the molecular formula C24H26F2N4O3S and a molecular weight of 488.56 g/mol. Its IUPAC name is N-[5-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide.

Molecular Properties

Compound NameN-[5-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
PubChem CID11952842
Molecular FormulaC24H26F2N4O3S
Molecular Weight488.56 g/mol
Exact Mass488.17
IUPAC NameN-[5-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
SMILESO=C(COCc1ccc(F)cc1)NCCCCCc1csc(NC(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C24H26F2N4O3S/c25-18-7-5-17(6-8-18)14-33-15-22(31)27-13-3-1-2-4-21-16-34-24(29-21)30-23(32)28-20-11-9-19(26)10-12-20/h5-12,16H,1-4,13-15H2,(H,27,31)(H2,28,29,30,32)
InChIKeyMPVIDMFTEHMSHP-UHFFFAOYSA-N
XLogP5.11
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.56
LogP ≤ 55.11
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 N-[5-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The IUPAC name of N-[5-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide (CID 11952842) is N-[5-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide.
What is the SMILES notation for N-[5-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The canonical SMILES for N-[5-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide is O=C(COCc1ccc(F)cc1)NCCCCCc1csc(NC(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of N-[5-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The InChIKey is MPVIDMFTEHMSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O3S/c25-18-7-5-17(6-8-18)14-33-15-22(31)27-13-3-1-2-4-21-16-34-24(29-21)30-23(32)28-20-11-9-19(26)10-12-20/h5-12,16H,1-4,13-15H2,(H,27,31)(H2,28,29,30,32).
What are the key properties of N-[5-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
N-[5-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide has a molecular weight of 488.56 g/mol, XLogP of 5.11, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide is sourced from PubChem (CID 11952842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).