3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)benzamide

C23H23N3O3S — CID 139390969

IUPAC3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cccnc2)cc1NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C23H23N3O3S/c1-16-7-8-20(23(27)25-15-17-4-3-11-24-14-17)13-22(16)26-30(28,29)21-10-9-18-5-2-6-19(18)12-21/h3-4,7-14,26H,2,5-6,15H2,1H3,(H,25,27)
InChIKeyZBWOJIJXYUANDO-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.61
Rot. Bonds6

About 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)benzamide

3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 139390969) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID139390969
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccc(C(=O)NCc2cccnc2)cc1NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C23H23N3O3S/c1-16-7-8-20(23(27)25-15-17-4-3-11-24-14-17)13-22(16)26-30(28,29)21-10-9-18-5-2-6-19(18)12-21/h3-4,7-14,26H,2,5-6,15H2,1H3,(H,25,27)
InChIKeyZBWOJIJXYUANDO-UHFFFAOYSA-N
XLogP3.61
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)benzamide (CID 139390969) is 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)benzamide is Cc1ccc(C(=O)NCc2cccnc2)cc1NS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is ZBWOJIJXYUANDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-16-7-8-20(23(27)25-15-17-4-3-11-24-14-17)13-22(16)26-30(28,29)21-10-9-18-5-2-6-19(18)12-21/h3-4,7-14,26H,2,5-6,15H2,1H3,(H,25,27).
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)benzamide?
3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 421.52 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)-4-methyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 139390969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).