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

C18H20N2O5S — CID 1093318

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl(methylsulfonyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1
InChIInChI=1S/C18H20N2O5S/c1-26(22,23)20(11-14-5-3-2-4-6-14)12-18(21)19-10-15-7-8-16-17(9-15)25-13-24-16/h2-9H,10-13H2,1H3,(H,19,21)
InChIKeyCQHQPQWQKKGVNL-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.49
Rot. Bonds7

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

N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl(methylsulfonyl)amino]acetamide (PubChem CID 1093318) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl(methylsulfonyl)amino]acetamide
PubChem CID1093318
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl(methylsulfonyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1
InChIInChI=1S/C18H20N2O5S/c1-26(22,23)20(11-14-5-3-2-4-6-14)12-18(21)19-10-15-7-8-16-17(9-15)25-13-24-16/h2-9H,10-13H2,1H3,(H,19,21)
InChIKeyCQHQPQWQKKGVNL-UHFFFAOYSA-N
XLogP1.49
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl(methylsulfonyl)amino]acetamide (CID 1093318) is N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl(methylsulfonyl)amino]acetamide is CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl(methylsulfonyl)amino]acetamide?
The InChIKey is CQHQPQWQKKGVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-26(22,23)20(11-14-5-3-2-4-6-14)12-18(21)19-10-15-7-8-16-17(9-15)25-13-24-16/h2-9H,10-13H2,1H3,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl(methylsulfonyl)amino]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[benzyl(methylsulfonyl)amino]acetamide has a molecular weight of 376.43 g/mol, XLogP of 1.49, 7 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(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 1093318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).