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

C23H26FN3O4S2 — CID 58756772

IUPACN-[5-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
SMILESO=C(COCc1ccc(F)cc1)NCCCCCc1csc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C23H26FN3O4S2/c24-19-12-10-18(11-13-19)15-31-16-22(28)25-14-6-2-3-7-20-17-32-23(26-20)27-33(29,30)21-8-4-1-5-9-21/h1,4-5,8-13,17H,2-3,6-7,14-16H2,(H,25,28)(H,26,27)
InChIKeyGYQDVSGFGUNVPK-UHFFFAOYSA-N
MW491.61 g/mol
LogP4.13
Rot. Bonds13

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

N-[5-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide (PubChem CID 58756772) has the molecular formula C23H26FN3O4S2 and a molecular weight of 491.61 g/mol. Its IUPAC name is N-[5-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide.

Molecular Properties

Compound NameN-[5-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
PubChem CID58756772
Molecular FormulaC23H26FN3O4S2
Molecular Weight491.61 g/mol
Exact Mass491.13
IUPAC NameN-[5-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide
SMILESO=C(COCc1ccc(F)cc1)NCCCCCc1csc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C23H26FN3O4S2/c24-19-12-10-18(11-13-19)15-31-16-22(28)25-14-6-2-3-7-20-17-32-23(26-20)27-33(29,30)21-8-4-1-5-9-21/h1,4-5,8-13,17H,2-3,6-7,14-16H2,(H,25,28)(H,26,27)
InChIKeyGYQDVSGFGUNVPK-UHFFFAOYSA-N
XLogP4.13
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(benzenesulfonamido)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The IUPAC name of N-[5-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide (CID 58756772) is N-[5-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide.
What is the SMILES notation for N-[5-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The canonical SMILES for N-[5-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide is O=C(COCc1ccc(F)cc1)NCCCCCc1csc(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-[5-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
The InChIKey is GYQDVSGFGUNVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O4S2/c24-19-12-10-18(11-13-19)15-31-16-22(28)25-14-6-2-3-7-20-17-32-23(26-20)27-33(29,30)21-8-4-1-5-9-21/h1,4-5,8-13,17H,2-3,6-7,14-16H2,(H,25,28)(H,26,27).
What are the key properties of N-[5-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide?
N-[5-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide has a molecular weight of 491.61 g/mol, XLogP of 4.13, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]pentyl]-2-[(4-fluorophenyl)methoxy]acetamide is sourced from PubChem (CID 58756772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).