2-(N-(3-cyanophenyl)sulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C23H19N3O5S — CID 26564864

IUPAC2-(N-(3-cyanophenyl)sulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESN#Cc1cccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)c1
InChIInChI=1S/C23H19N3O5S/c24-15-17-5-4-8-20(13-17)32(28,29)26(19-6-2-1-3-7-19)16-23(27)25-18-9-10-21-22(14-18)31-12-11-30-21/h1-10,13-14H,11-12,16H2,(H,25,27)
InChIKeyXNVMHDQNDSNGRL-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.16
Rot. Bonds6

About 2-(N-(3-cyanophenyl)sulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-(N-(3-cyanophenyl)sulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 26564864) has the molecular formula C23H19N3O5S and a molecular weight of 449.49 g/mol. Its IUPAC name is 2-(N-(3-cyanophenyl)sulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-(N-(3-cyanophenyl)sulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID26564864
Molecular FormulaC23H19N3O5S
Molecular Weight449.49 g/mol
Exact Mass449.10
IUPAC Name2-(N-(3-cyanophenyl)sulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESN#Cc1cccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)c1
InChIInChI=1S/C23H19N3O5S/c24-15-17-5-4-8-20(13-17)32(28,29)26(19-6-2-1-3-7-19)16-23(27)25-18-9-10-21-22(14-18)31-12-11-30-21/h1-10,13-14H,11-12,16H2,(H,25,27)
InChIKeyXNVMHDQNDSNGRL-UHFFFAOYSA-N
XLogP3.16
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(N-(3-cyanophenyl)sulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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

2-[benzenesulfonyl(pyridin-4-yl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 17463450
N-(3-cyanophenyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 25497895
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 126033961
N-[4-(cyanomethyl)phenyl]-2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]acetamide
CID 30265368
N-[1-(1-adamantyl)ethyl]-2-(N-(3-cyanophenyl)sulfonylanilino)acetamide
CID 45351359
3-cyano-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide
CID 51158448
N-(4-cyanophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]acetamide
CID 113156582
3-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 4789315
2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]-N-(4-iodophenyl)acetamide
CID 43899450
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 1075752
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 3912814
2-[N-(benzenesulfonyl)-3-cyanoanilino]-N-(2-phenylphenyl)acetamide
CID 47013285

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3-cyanophenyl)sulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-(N-(3-cyanophenyl)sulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 26564864) is 2-(N-(3-cyanophenyl)sulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-(N-(3-cyanophenyl)sulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-(N-(3-cyanophenyl)sulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is N#Cc1cccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)c1.
What is the InChIKey of 2-(N-(3-cyanophenyl)sulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is XNVMHDQNDSNGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O5S/c24-15-17-5-4-8-20(13-17)32(28,29)26(19-6-2-1-3-7-19)16-23(27)25-18-9-10-21-22(14-18)31-12-11-30-21/h1-10,13-14H,11-12,16H2,(H,25,27).
What are the key properties of 2-(N-(3-cyanophenyl)sulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-(N-(3-cyanophenyl)sulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 449.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3-cyanophenyl)sulfonylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 26564864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).