N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiophen-2-ylsulfonylamino)benzamide

C19H16N2O5S2 — CID 46487765

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H16N2O5S2/c22-19(20-14-6-7-16-17(12-14)26-9-8-25-16)13-3-1-4-15(11-13)21-28(23,24)18-5-2-10-27-18/h1-7,10-12,21H,8-9H2,(H,20,22)
InChIKeyVCYUXCXDFWPIAE-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.57
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiophen-2-ylsulfonylamino)benzamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiophen-2-ylsulfonylamino)benzamide (PubChem CID 46487765) has the molecular formula C19H16N2O5S2 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiophen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
PubChem CID46487765
Molecular FormulaC19H16N2O5S2
Molecular Weight416.48 g/mol
Exact Mass416.05
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C19H16N2O5S2/c22-19(20-14-6-7-16-17(12-14)26-9-8-25-16)13-3-1-4-15(11-13)21-28(23,24)18-5-2-10-27-18/h1-7,10-12,21H,8-9H2,(H,20,22)
InChIKeyVCYUXCXDFWPIAE-UHFFFAOYSA-N
XLogP3.57
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9453653
N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
CID 651313
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-fluorophenyl)benzamide
CID 29291056
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-sulfamoylphenyl)benzamide
CID 4844447
N-[3-(1,3-thiazol-2-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55991234
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(phenylsulfamoyl)benzamide
CID 4320437
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-thiophen-2-ylethyl)benzamide
CID 24543594
N-[3-chloro-4-(dimethylamino)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 55821414
N-(2,3-dimethylphenyl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 55786528
3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109056943
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492108
3-bromo-N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)phenyl]benzamide
CID 2220429

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiophen-2-ylsulfonylamino)benzamide (CID 46487765) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiophen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiophen-2-ylsulfonylamino)benzamide is O=C(Nc1ccc2c(c1)OCCO2)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiophen-2-ylsulfonylamino)benzamide?
The InChIKey is VCYUXCXDFWPIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O5S2/c22-19(20-14-6-7-16-17(12-14)26-9-8-25-16)13-3-1-4-15(11-13)21-28(23,24)18-5-2-10-27-18/h1-7,10-12,21H,8-9H2,(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiophen-2-ylsulfonylamino)benzamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiophen-2-ylsulfonylamino)benzamide has a molecular weight of 416.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 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)-3-(thiophen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 46487765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).