N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-(2-fluorophenyl)sulfonylamino]acetamide

C23H21FN2O5S — CID 17436002

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-(2-fluorophenyl)sulfonylamino]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1F)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C23H21FN2O5S/c24-19-8-4-5-9-22(19)32(28,29)26(14-17-6-2-1-3-7-17)15-23(27)25-13-18-10-11-20-21(12-18)31-16-30-20/h1-12H,13-16H2,(H,25,27)
InChIKeyRYUPVZJEBJQXDA-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.06
Rot. Bonds8

About N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-(2-fluorophenyl)sulfonylamino]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-(2-fluorophenyl)sulfonylamino]acetamide (PubChem CID 17436002) has the molecular formula C23H21FN2O5S and a molecular weight of 456.50 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-(2-fluorophenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-(2-fluorophenyl)sulfonylamino]acetamide
PubChem CID17436002
Molecular FormulaC23H21FN2O5S
Molecular Weight456.50 g/mol
Exact Mass456.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-(2-fluorophenyl)sulfonylamino]acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1F)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C23H21FN2O5S/c24-19-8-4-5-9-22(19)32(28,29)26(14-17-6-2-1-3-7-17)15-23(27)25-13-18-10-11-20-21(12-18)31-16-30-20/h1-12H,13-16H2,(H,25,27)
InChIKeyRYUPVZJEBJQXDA-UHFFFAOYSA-N
XLogP3.06
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzenesulfonyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 21380257
2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 126390259
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 17457343
N-(1,3-benzodioxol-5-ylmethyl)-2-(N-benzylanilino)acetamide
CID 108998861
2-[acetyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113161193
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126332941
N-(1,3-benzodioxol-5-ylmethyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide
CID 113151758
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113162169
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 27658928
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890
N-(1,3-benzodioxol-5-ylmethyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 21372613
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4181243

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-(2-fluorophenyl)sulfonylamino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-(2-fluorophenyl)sulfonylamino]acetamide (CID 17436002) is N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-(2-fluorophenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-(2-fluorophenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-(2-fluorophenyl)sulfonylamino]acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1F)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-(2-fluorophenyl)sulfonylamino]acetamide?
The InChIKey is RYUPVZJEBJQXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O5S/c24-19-8-4-5-9-22(19)32(28,29)26(14-17-6-2-1-3-7-17)15-23(27)25-13-18-10-11-20-21(12-18)31-16-30-20/h1-12H,13-16H2,(H,25,27).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-(2-fluorophenyl)sulfonylamino]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-(2-fluorophenyl)sulfonylamino]acetamide has a molecular weight of 456.50 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-(2-fluorophenyl)sulfonylamino]acetamide is sourced from PubChem (CID 17436002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).