N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide

C16H18N2O5S2 — CID 2440523

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H18N2O5S2/c1-2-18(25(20,21)16-4-3-9-24-16)11-15(19)17-12-5-6-13-14(10-12)23-8-7-22-13/h3-6,9-10H,2,7-8,11H2,1H3,(H,17,19)
InChIKeyNTJFEMWDAADYET-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.17
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 2440523) has the molecular formula C16H18N2O5S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID2440523
Molecular FormulaC16H18N2O5S2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccs1
InChIInChI=1S/C16H18N2O5S2/c1-2-18(25(20,21)16-4-3-9-24-16)11-15(19)17-12-5-6-13-14(10-12)23-8-7-22-13/h3-6,9-10H,2,7-8,11H2,1H3,(H,17,19)
InChIKeyNTJFEMWDAADYET-UHFFFAOYSA-N
XLogP2.17
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 2440523) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide is CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is NTJFEMWDAADYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S2/c1-2-18(25(20,21)16-4-3-9-24-16)11-15(19)17-12-5-6-13-14(10-12)23-8-7-22-13/h3-6,9-10H,2,7-8,11H2,1H3,(H,17,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 382.46 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 2440523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).