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

C19H22N2O5S — CID 2948118

IUPACN-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
SMILESCCC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H22N2O5S/c1-3-13(2)20-19(22)15-6-4-5-7-16(15)21-27(23,24)14-8-9-17-18(12-14)26-11-10-25-17/h4-9,12-13,21H,3,10-11H2,1-2H3,(H,20,22)
InChIKeyCPDQGPLRAMPDEC-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.79
Rot. Bonds6

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

N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide (PubChem CID 2948118) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
PubChem CID2948118
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
SMILESCCC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C19H22N2O5S/c1-3-13(2)20-19(22)15-6-4-5-7-16(15)21-27(23,24)14-8-9-17-18(12-14)26-11-10-25-17/h4-9,12-13,21H,3,10-11H2,1-2H3,(H,20,22)
InChIKeyCPDQGPLRAMPDEC-UHFFFAOYSA-N
XLogP2.79
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 1289488
N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 17200397
N-butan-2-yl-2-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)sulfonylamino]benzamide
CID 132664998
N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
N-[2-(pyrrolidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1076433
N-butan-2-yl-2-[[2-[N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-fluoroanilino]acetyl]amino]benzamide
CID 43899845
N-[(2S)-butan-2-yl]-2-[[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 100538267
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
N-[(2R)-butan-2-yl]-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 8823353
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 55626752
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 6492763

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide?
The IUPAC name of N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide (CID 2948118) is N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide.
What is the SMILES notation for N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide?
The canonical SMILES for N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide is CCC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide?
The InChIKey is CPDQGPLRAMPDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-3-13(2)20-19(22)15-6-4-5-7-16(15)21-27(23,24)14-8-9-17-18(12-14)26-11-10-25-17/h4-9,12-13,21H,3,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide?
N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide has a molecular weight of 390.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide is sourced from PubChem (CID 2948118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).