4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzodioxol-5-yl)benzamide

C19H22N2O5S — CID 20630819

IUPAC4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzodioxol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc2c1OCO2
InChIInChI=1S/C19H22N2O5S/c1-12-9-15(10-16-17(12)26-11-25-16)20-18(22)13-5-7-14(8-6-13)21-27(23,24)19(2,3)4/h5-10,21H,11H2,1-4H3,(H,20,22)
InChIKeyBWSDPGNDLWZQQX-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.52
Rot. Bonds4

About 4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzodioxol-5-yl)benzamide

4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzodioxol-5-yl)benzamide (PubChem CID 20630819) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzodioxol-5-yl)benzamide.

Molecular Properties

Compound Name4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzodioxol-5-yl)benzamide
PubChem CID20630819
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzodioxol-5-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc2c1OCO2
InChIInChI=1S/C19H22N2O5S/c1-12-9-15(10-16-17(12)26-11-25-16)20-18(22)13-5-7-14(8-6-13)21-27(23,24)19(2,3)4/h5-10,21H,11H2,1-4H3,(H,20,22)
InChIKeyBWSDPGNDLWZQQX-UHFFFAOYSA-N
XLogP3.52
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-(tert-butylsulfonylamino)benzamide
CID 20630879
N-(7-methyl-1,3-benzodioxol-5-yl)acetamide
CID 59429949
4-fluoro-N-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)benzamide
CID 3457663
4-(tert-butylsulfonylamino)-N-[4-(2-hydroxypropan-2-yl)phenyl]benzamide
CID 20629931
4-(tert-butylsulfonylamino)-N-(4,7-dimethyl-2,3-dihydro-1H-inden-5-yl)benzamide
CID 20630356
N-(1,3-benzodioxol-5-yl)-4-[(4-methyl-3-nitrophenyl)sulfonylamino]benzamide
CID 27648604
4-(tert-butylsulfonylamino)-N-(8-ethyl-2-oxochromen-6-yl)benzamide
CID 20630833
N-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide
CID 20630386
4-(tert-butylsulfonylamino)-N-[4-(2,6-dimethylmorpholin-4-yl)-2,6-dimethylphenyl]benzamide
CID 20630033
N-(1,3-benzodioxol-5-yl)-4-(methylsulfamoyl)benzamide
CID 27648630
N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 19579239
N-(1,3-benzodioxol-5-yl)-4-(3-hydroxy-3-methylbut-1-ynyl)benzamide
CID 755409

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzodioxol-5-yl)benzamide?
The IUPAC name of 4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzodioxol-5-yl)benzamide (CID 20630819) is 4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzodioxol-5-yl)benzamide.
What is the SMILES notation for 4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzodioxol-5-yl)benzamide?
The canonical SMILES for 4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzodioxol-5-yl)benzamide is Cc1cc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)cc2c1OCO2.
What is the InChIKey of 4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzodioxol-5-yl)benzamide?
The InChIKey is BWSDPGNDLWZQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-12-9-15(10-16-17(12)26-11-25-16)20-18(22)13-5-7-14(8-6-13)21-27(23,24)19(2,3)4/h5-10,21H,11H2,1-4H3,(H,20,22).
What are the key properties of 4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzodioxol-5-yl)benzamide?
4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzodioxol-5-yl)benzamide has a molecular weight of 390.46 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfonylamino)-N-(7-methyl-1,3-benzodioxol-5-yl)benzamide is sourced from PubChem (CID 20630819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).