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

C17H18N2O5S — CID 1082608

IUPACN-(1,3-benzodioxol-5-yl)-2-[benzyl(methylsulfonyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1
InChIInChI=1S/C17H18N2O5S/c1-25(21,22)19(10-13-5-3-2-4-6-13)11-17(20)18-14-7-8-15-16(9-14)24-12-23-15/h2-9H,10-12H2,1H3,(H,18,20)
InChIKeyVYMKMPHIXKWQFW-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.82
Rot. Bonds6

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

N-(1,3-benzodioxol-5-yl)-2-[benzyl(methylsulfonyl)amino]acetamide (PubChem CID 1082608) has the molecular formula C17H18N2O5S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[benzyl(methylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[benzyl(methylsulfonyl)amino]acetamide
PubChem CID1082608
Molecular FormulaC17H18N2O5S
Molecular Weight362.41 g/mol
Exact Mass362.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[benzyl(methylsulfonyl)amino]acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1
InChIInChI=1S/C17H18N2O5S/c1-25(21,22)19(10-13-5-3-2-4-6-13)11-17(20)18-14-7-8-15-16(9-14)24-12-23-15/h2-9H,10-12H2,1H3,(H,18,20)
InChIKeyVYMKMPHIXKWQFW-UHFFFAOYSA-N
XLogP1.82
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.82
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-yl)-2-[benzyl(methylsulfonyl)amino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[benzyl(methylsulfonyl)amino]acetamide (CID 1082608) is N-(1,3-benzodioxol-5-yl)-2-[benzyl(methylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[benzyl(methylsulfonyl)amino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[benzyl(methylsulfonyl)amino]acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[benzyl(methylsulfonyl)amino]acetamide?
The InChIKey is VYMKMPHIXKWQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5S/c1-25(21,22)19(10-13-5-3-2-4-6-13)11-17(20)18-14-7-8-15-16(9-14)24-12-23-15/h2-9H,10-12H2,1H3,(H,18,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[benzyl(methylsulfonyl)amino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[benzyl(methylsulfonyl)amino]acetamide has a molecular weight of 362.41 g/mol, XLogP of 1.82, 6 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-yl)-2-[benzyl(methylsulfonyl)amino]acetamide is sourced from PubChem (CID 1082608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).