2-[benzenesulfonyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide

C23H22N2O5S — CID 21380257

IUPAC2-[benzenesulfonyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C23H22N2O5S/c26-23(24-14-19-11-12-21-22(13-19)30-17-29-21)16-25(15-18-7-3-1-4-8-18)31(27,28)20-9-5-2-6-10-20/h1-13H,14-17H2,(H,24,26)
InChIKeyQVRPMYBLWWCAOF-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.92
Rot. Bonds8

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

2-[benzenesulfonyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide (PubChem CID 21380257) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-[benzenesulfonyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
PubChem CID21380257
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name2-[benzenesulfonyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C23H22N2O5S/c26-23(24-14-19-11-12-21-22(13-19)30-17-29-21)16-25(15-18-7-3-1-4-8-18)31(27,28)20-9-5-2-6-10-20/h1-13H,14-17H2,(H,24,26)
InChIKeyQVRPMYBLWWCAOF-UHFFFAOYSA-N
XLogP2.92
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 17457343
N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl-(2-fluorophenyl)sulfonylamino]acetamide
CID 17436002
2-[benzenesulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 126390259
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126332941
N-(1,3-benzodioxol-5-ylmethyl)-2-(N-benzylanilino)acetamide
CID 108998861
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 126274709
2-[acetyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113161193
N-(1,3-benzodioxol-5-ylmethyl)-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]acetamide
CID 113151758
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
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 30882836
2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 2545354

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide?
The IUPAC name of 2-[benzenesulfonyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide (CID 21380257) is 2-[benzenesulfonyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide?
The canonical SMILES for 2-[benzenesulfonyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[benzenesulfonyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide?
The InChIKey is QVRPMYBLWWCAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c26-23(24-14-19-11-12-21-22(13-19)30-17-29-21)16-25(15-18-7-3-1-4-8-18)31(27,28)20-9-5-2-6-10-20/h1-13H,14-17H2,(H,24,26).
What are the key properties of 2-[benzenesulfonyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide?
2-[benzenesulfonyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide has a molecular weight of 438.51 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide is sourced from PubChem (CID 21380257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).