N-(1,3-benzodioxol-5-yl)-2-(N-methylsulfonylanilino)acetamide

C16H16N2O5S — CID 645332

IUPACN-(1,3-benzodioxol-5-yl)-2-(N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C16H16N2O5S/c1-24(20,21)18(13-5-3-2-4-6-13)10-16(19)17-12-7-8-14-15(9-12)23-11-22-14/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyDLVMQHLSUMRCDN-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.82
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-(N-methylsulfonylanilino)acetamide

N-(1,3-benzodioxol-5-yl)-2-(N-methylsulfonylanilino)acetamide (PubChem CID 645332) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(N-methylsulfonylanilino)acetamide
PubChem CID645332
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C16H16N2O5S/c1-24(20,21)18(13-5-3-2-4-6-13)10-16(19)17-12-7-8-14-15(9-12)23-11-22-14/h2-9H,10-11H2,1H3,(H,17,19)
InChIKeyDLVMQHLSUMRCDN-UHFFFAOYSA-N
XLogP1.82
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-2-(N-methylsulfonylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2H-1,3-Benzodioxol-5-yl)acetamide
CID 98688
1-Piperazinepropanamide, N-1,3-benzodioxol-5-yl-4-phenyl-
CID 1149630
N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide
CID 760826
N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 863856
N-(1,3-benzodioxol-5-yl)-2-benzylsulfonylacetamide
CID 970896
1-(1,3-Benzodioxol-5-yl)-3-[4-(ethylsulfamoyl)phenyl]urea
CID 2206548
N-1,3-benzodioxol-5-yl-N'-(4-methylcyclohexyl)ethanediamide
CID 2223231
N-(1,3-benzodioxol-5-yl)-2-(carbamoylamino)-4-methylpentanamide
CID 4005106
N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[methanesulfonyl-(2-methoxy-phenyl)-amino]-acetamide
CID 655700
N-Benzo[1,3]dioxol-5-yl-3-[4-(2-fluoro-phenyl)-piperazin-1-yl]-propionamide
CID 656215
N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyphenyl)-1-piperazinyl]propanamide
CID 1149625
N-(2H-1,3-Benzodioxol-5-YL)-2-[N-(4-ethoxyphenyl)benzenesulfonamido]acetamide
CID 2279484

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(N-methylsulfonylanilino)acetamide (CID 645332) is N-(1,3-benzodioxol-5-yl)-2-(N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(N-methylsulfonylanilino)acetamide?
The InChIKey is DLVMQHLSUMRCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-24(20,21)18(13-5-3-2-4-6-13)10-16(19)17-12-7-8-14-15(9-12)23-11-22-14/h2-9H,10-11H2,1H3,(H,17,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(N-methylsulfonylanilino)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(N-methylsulfonylanilino)acetamide has a molecular weight of 348.38 g/mol, XLogP of 1.82, 5 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-(N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 645332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).