N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide

C25H26N2O5S — CID 2373674

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)c1C
InChIInChI=1S/C25H26N2O5S/c1-15-11-16(2)18(4)24(17(15)3)33(29,30)27-21-8-6-5-7-20(21)25(28)26-13-19-9-10-22-23(12-19)32-14-31-22/h5-12,27H,13-14H2,1-4H3,(H,26,28)
InChIKeyBTGUDSGUJNLTHC-UHFFFAOYSA-N
MW466.56 g/mol
LogP4.38
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide (PubChem CID 2373674) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
PubChem CID2373674
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)c1C
InChIInChI=1S/C25H26N2O5S/c1-15-11-16(2)18(4)24(17(15)3)33(29,30)27-21-8-6-5-7-20(21)25(28)26-13-19-9-10-22-23(12-19)32-14-31-22/h5-12,27H,13-14H2,1-4H3,(H,26,28)
InChIKeyBTGUDSGUJNLTHC-UHFFFAOYSA-N
XLogP4.38
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 55446764
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methylbenzoyl)amino]benzamide
CID 8873849
N-(1,3-benzodioxol-5-ylmethyl)-2-fluorobenzamide
CID 674890
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-ethylbenzoyl)amino]benzamide
CID 8873844
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1H-indole-2-carboxamide
CID 110851797
ethyl 5-[[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 42998632
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6-methylpyridine-3-carboxamide
CID 17491605
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 24555312
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(1,3-benzodioxol-5-yl)prop-2-ynoylamino]benzamide
CID 71849757
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2-(trifluoromethyl)benzamide
CID 2456782
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]benzamide
CID 9113968
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide
CID 154877409

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide (CID 2373674) is N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide is Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)c1C.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide?
The InChIKey is BTGUDSGUJNLTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-15-11-16(2)18(4)24(17(15)3)33(29,30)27-21-8-6-5-7-20(21)25(28)26-13-19-9-10-22-23(12-19)32-14-31-22/h5-12,27H,13-14H2,1-4H3,(H,26,28).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide has a molecular weight of 466.56 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 2373674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).