N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide

C25H25FN2O5S — CID 55953457

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
SMILESCCC(NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C25H25FN2O5S/c1-2-22(18-5-12-23-24(16-18)33-14-13-32-23)27-25(29)15-17-3-8-20(9-4-17)28-34(30,31)21-10-6-19(26)7-11-21/h3-12,16,22,28H,2,13-15H2,1H3,(H,27,29)
InChIKeyZCRZSVXCMOUEFI-UHFFFAOYSA-N
MW484.55 g/mol
LogP4.21
Rot. Bonds8

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide (PubChem CID 55953457) has the molecular formula C25H25FN2O5S and a molecular weight of 484.55 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
PubChem CID55953457
Molecular FormulaC25H25FN2O5S
Molecular Weight484.55 g/mol
Exact Mass484.15
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
SMILESCCC(NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C25H25FN2O5S/c1-2-22(18-5-12-23-24(16-18)33-14-13-32-23)27-25(29)15-17-3-8-20(9-4-17)28-34(30,31)21-10-6-19(26)7-11-21/h3-12,16,22,28H,2,13-15H2,1H3,(H,27,29)
InChIKeyZCRZSVXCMOUEFI-UHFFFAOYSA-N
XLogP4.21
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 2579514
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 51966629
N-[4-[(2S)-butan-2-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7940763
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 55438165
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide
CID 7516335
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55953201
(4-fluorophenyl)methyl 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 25048762
N-[4-[[(4-fluorobenzoyl)amino]carbamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55346325
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 55572143
N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 55501117
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-(dimethylsulfamoyl)benzamide
CID 55907467

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide (CID 55953457) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide is CCC(NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
The InChIKey is ZCRZSVXCMOUEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O5S/c1-2-22(18-5-12-23-24(16-18)33-14-13-32-23)27-25(29)15-17-3-8-20(9-4-17)28-34(30,31)21-10-6-19(26)7-11-21/h3-12,16,22,28H,2,13-15H2,1H3,(H,27,29).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide has a molecular weight of 484.55 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 55953457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).