2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide

C25H27FN2O4S — CID 55868918

IUPAC2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
SMILESCC(C)OCc1ccc(CNC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C25H27FN2O4S/c1-18(2)32-17-21-5-3-20(4-6-21)16-27-25(29)15-19-7-11-23(12-8-19)28-33(30,31)24-13-9-22(26)10-14-24/h3-14,18,28H,15-17H2,1-2H3,(H,27,29)
InChIKeySDLLGZKAQPXXBD-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.41
Rot. Bonds10

About 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide

2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide (PubChem CID 55868918) has the molecular formula C25H27FN2O4S and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
PubChem CID55868918
Molecular FormulaC25H27FN2O4S
Molecular Weight470.57 g/mol
Exact Mass470.17
IUPAC Name2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
SMILESCC(C)OCc1ccc(CNC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1
InChIInChI=1S/C25H27FN2O4S/c1-18(2)32-17-21-5-3-20(4-6-21)16-27-25(29)15-19-7-11-23(12-8-19)28-33(30,31)24-13-9-22(26)10-14-24/h3-14,18,28H,15-17H2,1-2H3,(H,27,29)
InChIKeySDLLGZKAQPXXBD-UHFFFAOYSA-N
XLogP4.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)acetamide
CID 51163743
propan-2-yl 2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]acetate
CID 56551038
2-[[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]amino]-N-propan-2-ylbenzamide
CID 34556664
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide
CID 33102586
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28562504
4-[(4-fluorophenyl)sulfonylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 55847190
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 17472251
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26698644

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide (CID 55868918) is 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide is CC(C)OCc1ccc(CNC(=O)Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
The InChIKey is SDLLGZKAQPXXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O4S/c1-18(2)32-17-21-5-3-20(4-6-21)16-27-25(29)15-19-7-11-23(12-8-19)28-33(30,31)24-13-9-22(26)10-14-24/h3-14,18,28H,15-17H2,1-2H3,(H,27,29).
What are the key properties of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide?
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide has a molecular weight of 470.57 g/mol, XLogP of 4.41, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55868918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).